LMPR0104310001
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    9.3496    9.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    8.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    7.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4749    7.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    7.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    8.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    8.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    7.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1274    7.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1050    7.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5402    8.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1050    9.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3363    9.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3142    9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050    8.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8141    9.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0736    8.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    6.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8482   10.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1051    9.5347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    8.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5088    7.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6065    9.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3142   10.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9043    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  7  9  1  1  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
  1 20  2  0  0  0  0
  2 21  1  1  0  0  0
  5 22  2  0  0  0  0
 12 23  1  6  0  0  0
 13 24  1  6  0  0  0
 15 25  1  0  0  0  0
 10 26  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104310001

> <COMMON_NAME>
7beta-Hydroxy-lathyrol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Lathyrane diterpenoids [PR010431]

> <SYNONYMS>


> <INCHI_KEY>
XYXDIXJADPYNOO-UHPDLYGISA-N

> <INCHI>
InChI=1S/C20H30O4/c1-10-6-15-17(22)12(3)9-20(15,24)18(23)11(2)7-13-14(8-16(10)21)19(13,4)5/h7,12-17,21-22,24H,1,6,8-9H2,2-5H3/b11-7-/t12-,13+,14-,15?,16+,17-,20+/m0/s1

> <SMILES>
C1(=O)C(C)=C[C@@]2([H])C(C)(C)[C@@]2([H])C[C@@H](O)C(=C)CC2[C@@H](O)[C@@H](C)C[C@]12O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73950885

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$