Crocacin C (CHEBI:202921)

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CHEBI:202921 - Crocacin C

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ChEBI ID	CHEBI:202921
ChEBI Name	Crocacin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H31NO3
Net Charge	0
Average Mass	357.494
Monoisotopic Mass	357.23039
SMILES	CO[C@H]([C@H](C)[C@H](/C=C/c1ccccc1)OC)[C@@H](C)/C=C/C(C)=C/C(N)=O
InChI	InChI=1S/C22H31NO3/c1-16(15-21(23)24)11-12-17(2)22(26-5)18(3)20(25-4)14-13-19-9-7-6-8-10-19/h6-15,17-18,20,22H,1-5H3,(H2,23,24)/b12-11+,14-13+,16-15+/t17-,18+,20-,22-/m0/s1
InChIKey	JCMQQWWEDGWMJB-ZAFMVVCLSA-N

Species of Metabolite	Component	Source	Comments
Chondromyces crocatus (ncbitaxon:52)	-	DOI (10.1002/(sici)1099-0690(199905)1999:5<1085::aid-ejoc1085>3.0.co;2-g)

ChEBI Ontology

Outgoing Relation(s)
	Crocacin C (CHEBI:202921) is a styrenes (CHEBI:26799)

IUPAC Name
(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienamide

Manual Xrefs	Databases
4977635	ChemSpider