LMPR0103090038
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    5.3643   -4.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2407   -4.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2407   -5.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877   -5.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877   -4.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -4.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -4.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -5.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -6.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173   -5.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3643   -6.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305   -7.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9788   -6.9492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7462   -6.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3345   -7.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3277   -7.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8703   -4.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8406   -8.4499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8703   -3.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7469   -2.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -2.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7469   -1.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8703   -1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6073   -3.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975   -8.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  3  1  0     0  0
  2 10  1  0     0  0
  3 11  1  0     0  0
 11  4  1  0     0  0
 11 12  1  0     0  0
  3 13  1  1     0  0
 11 13  1  6     0  0
  8 14  1  1     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  9 16  1  6     0  0
  7 17  1  1     0  0
 15 18  2  0     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
 20 22  2  0     0  0
 22 23  1  0     0  0
 20 24  1  0     0  0
 12 25  1  0     0  0
M  END
> <LM_ID>
LMPR0103090038

> <COMMON_NAME>
15-hydroxydeltoidin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H26O6

> <MASS>
350.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
HIWQHRYAEHHJEB-ONCVQVOVSA-N

> <INCHI>
InChI=1S/C19H26O6/c1-4-12(3)18(22)23-14-8-11(2)6-5-7-19(10-20)17(25-19)16-13(14)9-15(21)24-16/h4,6,13-14,16-17,20H,5,7-10H2,1-3H3/b11-6+,12-4-/t13-,14-,16+,17+,19+/m1/s1

> <SMILES>
C1CC[C@]2(O[C@H]2[C@H]2OC(=O)C[C@@H]2[C@H](OC(=O)/C(/C)=C\C)CC=1C)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
102749

> <CITATION>
32998543

$$$$