Ajudazol B (CHEBI:225225)

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CHEBI:225225 - Ajudazol B

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ChEBI ID	CHEBI:225225
ChEBI Name	Ajudazol B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H44N2O7
Net Charge	0
Average Mass	592.733
Monoisotopic Mass	592.31485
SMILES	CO/C(C)=C/C(=O)N(C)C/C=C/CC/C=C\C=C/CC(C)c1nc(C[C@H](C)[C@@H]2OC(=O)c3c(ccc(C)c3O)[C@H]2O)co1
InChI	InChI=1S/C34H44N2O7/c1-22-16-17-27-29(30(22)38)34(40)43-32(31(27)39)24(3)19-26-21-42-33(35-26)23(2)15-13-11-9-7-8-10-12-14-18-36(5)28(37)20-25(4)41-6/h7,9,11-14,16-17,20-21,23-24,31-32,38-39H,8,10,15,18-19H2,1-6H3/b9-7-,13-11-,14-12+,25-20+/t23?,24-,31+,32-/m0/s1
InChIKey	YIAOKSMOIJEDIZ-ACGHIZBPSA-N

Species of Metabolite	Component	Source	Comments
Chondromyces crocatus (ncbitaxon:52)	-	DOI (10.1002/1099-0690(200203)2002:5<917::aid-ejoc917>3.0.co;2-z)

ChEBI Ontology

Outgoing Relation(s)
	Ajudazol B (CHEBI:225225) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(E)-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide

Manual Xrefs	Databases
8636497	ChemSpider