LMPR0104050013
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5988    7.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4650    7.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3312    7.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3312    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4650    9.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5988    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1973    7.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635    7.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1973    9.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9297    9.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9297   10.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635   10.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1973   10.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3312    9.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9649    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9650    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7959   10.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3312    6.7267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6618   10.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7959   11.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9295    7.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  4  1  0     0  0
  9 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 10  1  0     0  0
  4 15  1  6     0  0
  2 16  1  0     0  0
  2 17  1  0     0  0
 12 18  1  0     0  0
  3 19  1  1     0  0
  1 20  1  6     0  0
  6 21  1  1     0  0
 18 22  1  0     0  0
 18 23  1  0     0  0
  8 24  2  0     0  0
M  END
> <LM_ID>
LMPR0104050013

> <COMMON_NAME>
Dalterpenoid A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Abietane diterpenoids [PR010405]

> <SYNONYMS>


> <INCHI_KEY>
BOWMWLRYFHYBLQ-XFKSJGNHSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-11(2)12-6-7-14-13(8-12)15(21)9-17-19(3,4)18(23)16(22)10-20(14,17)5/h6-8,11,16-18,22-23H,9-10H2,1-5H3/t16-,17+,18+,20-/m0/s1

> <SMILES>
[C@@H]1(O)[C@@H](O)C[C@@]2(C)C3C=CC(C(C)C)=CC=3C(=O)C[C@]2([H])C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170988693

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1769485

> <CITATION>
32643425

$$$$