(22E)-23-methylergosta-5, 7-22-trien-3beta-ol (CHEBI:215740)

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CHEBI:215740 - (22E)-23-methylergosta-5, 7-22-trien-3beta-ol

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ChEBI ID	CHEBI:215740
ChEBI Name	(22E)-23-methylergosta-5, 7-22-trien-3beta-ol
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Submitter	MetaboLights
Downloads	Molfile

Formula	C29H46O
Net Charge	0
Average Mass	410.686
Monoisotopic Mass	410.35487
SMILES	C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)C(C)C
InChI	InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey	MNBTWOPOWPOHGH-IZIYXJCYSA-N

Species of Metabolite	Component	Source	Comments
Lentinula edodes (ncbitaxon:5353)	-	PubMed (10823718)

ChEBI Ontology

Outgoing Relation(s)
	(22E)-23-methylergosta-5, 7-22-trien-3beta-ol (CHEBI:215740) is a ergostanoid (CHEBI:50403)

IUPAC Name
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Manual Xrefs	Databases
8724923	ChemSpider