Ganodermic acid S (CHEBI:225483)

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CHEBI:225483 - Ganodermic acid S

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ChEBI ID	CHEBI:225483
ChEBI Name	Ganodermic acid S
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H50O6
Net Charge	0
Average Mass	554.768
Monoisotopic Mass	554.36074
SMILES	CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C
InChI	InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+/t20-,26-,27+,28-,29-,32-,33-,34-/m1/s1
InChIKey	OTUZGGSAOMCYNC-HQGDWPTRSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma lucidum (ncbitaxon:5315)	-	DOI (10.1021/np50053a019)

ChEBI Ontology

Outgoing Relation(s)
	Ganodermic acid S (CHEBI:225483) is a triterpenoid (CHEBI:36615)

IUPAC Name
(E,6R)-6-[(3R,5R,10S,13R,14R,15R,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Manual Xrefs	Databases
78441229	ChemSpider