andiconine (CHEBI:232443)

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CHEBI:232443 - andiconine

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ChEBI ID	CHEBI:232443
ChEBI Name	andiconine
Stars
Submitter	Anne Morgat
Downloads	Molfile

Formula	C25H30O5
Net Charge	0
Average Mass	410.510
Monoisotopic Mass	410.20932
SMILES	[H][C@@]12C[C@@]3(C)C(=O)[C@@]4(C)C[C@]1(CCC1C(C)(C)C(=O)C=C[C@@]12C)[C@@]31COC(=O)[C@H]1C4=O
InChI	InChI=1S/C25H30O5/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(20)26/h7-8,13-14,16H,6,9-12H2,1-5H3/t13?,14-,16+,21-,22-,23-,24-,25+/m0/s1
InChIKey	PIZDGYFPLPPVBP-DMJMCBEISA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	andiconine (CHEBI:232443) is a cyclohexenones (CHEBI:48953)
	andiconine (CHEBI:232443) is a meroterpenoid (CHEBI:64419)

UniProt Name	Source
andiconine	UniProt

Manual Xrefs	Databases
CPD-17336	MetaCyc

Citations