Ganorbiformin F (CHEBI:204999)

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CHEBI:204999 - Ganorbiformin F

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ChEBI ID	CHEBI:204999
ChEBI Name	Ganorbiformin F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H50O6
Net Charge	0
Average Mass	542.757
Monoisotopic Mass	542.36074
SMILES	CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](CC=C(C)C(=O)O)OC(C)=O)[C@@]1(C)CC2
InChI	InChI=1S/C33H50O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-26H,11-18H2,1-9H3,(H,36,37)/t20-,22+,24-,25+,26-,31+,32+,33-/m0/s1
InChIKey	LKKZTONQXUTYEZ-WRTRJBSLSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma (ncbitaxon:5314)	-	PubMed (23280041)

ChEBI Ontology

Outgoing Relation(s)
	Ganorbiformin F (CHEBI:204999) is a triterpenoid (CHEBI:36615)

IUPAC Name
(5S,6S)-5-acetyloxy-6-[(5R,7R,10S,13R,14R,17R)-7-methoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Manual Xrefs	Databases
78442026	ChemSpider