Daldinialanone (CHEBI:203102)

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CHEBI:203102 - Daldinialanone

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ChEBI ID	CHEBI:203102
ChEBI Name	Daldinialanone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O2
Net Charge	0
Average Mass	438.696
Monoisotopic Mass	438.34978
SMILES	CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChI	InChI=1S/C30H46O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9-10,14,20-21,24-25,31H,11-13,15-18H2,1-8H3/t20-,21+,24+,25-,28+,29+,30-/m0/s1
InChIKey	UHHCPWWWCZXVHN-OKDLRWSNSA-N

Species of Metabolite	Component	Source	Comments
Daldiniaspecies (ncbitaxon:1769485)	-	PubMed (12502330)

ChEBI Ontology

Outgoing Relation(s)
	Daldinialanone (CHEBI:203102) is a triterpenoid (CHEBI:36615)

IUPAC Name
(5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Manual Xrefs	Databases
9059934	ChemSpider