lmst01010143 (CHEBI:230573)

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CHEBI:230573 - lmst01010143

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ChEBI ID	CHEBI:230573
ChEBI Name	lmst01010143
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H48O
Net Charge	0
Average Mass	412.702
Monoisotopic Mass	412.37052
SMILES	CC(C)=CCCC(C)C1CCC2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)C1CC3
InChI	InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20?,21?,22?,23?,26-,27-,28+,29?/m0/s1
InChIKey	KLZWTHGLLDRKHD-PJWAZMQOSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS9087)

ChEBI Ontology

Outgoing Relation(s)
	lmst01010143 (CHEBI:230573) is a organic molecular entity (CHEBI:50860)

IUPAC Name
(3S,10S,13R)-4,10,13,14-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Manual Xrefs	Databases
24823279	ChemSpider
LMST01010143	LIPID MAPS