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CHEBI:215196 - Ganocasuarin F

Default Structure
ChEBI IDCHEBI:215196
ChEBI NameGanocasuarin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40O7
Net Charge0
Average Mass524.654
Monoisotopic Mass524.27740
SMILESCC(=O)C(C)CC(=O)/C=C(\C)[C@H]1CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)[C@](C)(CO)[C@@H]3C[C@H]3O[C@@]132
InChIInChI=1S/C31H40O7/c1-16(18(3)33)10-19(34)11-17(2)20-12-25(37)30(7)29(20,6)24(36)13-22-27(4)9-8-23(35)28(5,15-32)21(27)14-26-31(22,30)38-26/h11,13,16,20-21,26,32H,8-10,12,14-15H2,1-7H3/b17-11+/t16?,20-,21-,26-,27+,28-,29+,30-,31+/m1/s1
InChIKeyHOOYGHZCKMYVHQ-YCNVOSNQSA-N
Species of MetaboliteComponentSourceComments
Ganoderma casuarinicola (ncbitaxon:2057914) - PubMed (31855780)
ChEBI Ontology
Outgoing Relation(s)
Ganocasuarin F (CHEBI:215196) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,3R,5R,6S,10S,14R,15R,18R)-6-(hydroxymethyl)-6,10,14,18-tetramethyl-15-[(E)-6-methyl-4,7-dioxooct-2-en-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,13,17-trione