Methyl 11alpha-hydroxytormentate (CHEBI:229167)

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CHEBI:229167 - Methyl 11alpha-hydroxytormentate

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ChEBI ID	CHEBI:229167
ChEBI Name	Methyl 11alpha-hydroxytormentate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H50O6
Net Charge	0
Average Mass	518.735
Monoisotopic Mass	518.36074
SMILES	COC(=O)C12CCC(C)C(C)(O)C1C1=CC(O)C3C(C)(CCC4C(C)(C)C(O)C(O)C[C@@]43C)C1(C)CC2
InChI	InChI=1S/C31H50O6/c1-17-9-12-31(25(35)37-8)14-13-28(5)18(22(31)30(17,7)36)15-19(32)23-27(4)16-20(33)24(34)26(2,3)21(27)10-11-29(23,28)6/h15,17,19-24,32-34,36H,9-14,16H2,1-8H3/t17?,19?,20?,21?,22?,23?,24?,27-,28?,29?,30?,31?/m0/s1
InChIKey	RFCWIDTZVWTUPH-MENDFBMOSA-N

Species of Metabolite	Component	Source	Comments
Zea mays (ncbitaxon:4577)	exometabolome	MetaboLights (MTBLS8903)

ChEBI Ontology

Outgoing Relation(s)
	Methyl 11alpha-hydroxytormentate (CHEBI:229167) is a triterpenoid (CHEBI:36615)

IUPAC Name
methyl (12aS)-1,10,11,13-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Manual Xrefs	Databases
4477930	ChemSpider