Secomilbemycin C (CHEBI:202213)

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CHEBI:202213 - Secomilbemycin C

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ChEBI ID	CHEBI:202213
ChEBI Name	Secomilbemycin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H42O6
Net Charge	0
Average Mass	510.671
Monoisotopic Mass	510.29814
SMILES	C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](C)O2)O1)C[C@@H](C)/C=C/C=C1\COC(=O)c2cc(C)c(O)cc21
InChI	InChI=1S/C31H42O6/c1-19(7-6-8-24-18-35-30(34)28-14-22(4)29(33)16-27(24)28)13-20(2)9-10-26-15-25(32)17-31(37-26)12-11-21(3)23(5)36-31/h6-9,14,16,19,21,23,25-26,32-33H,10-13,15,17-18H2,1-5H3/b7-6+,20-9+,24-8+/t19-,21-,23+,25-,26+,31-/m0/s1
InChIKey	IBVJSVVYWINUJP-QCWVGRPSSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces bingchenggensis (ncbitaxon:379067)	-	PubMed (20183296)

ChEBI Ontology

Outgoing Relation(s)
	Secomilbemycin C (CHEBI:202213) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(4Z)-6-hydroxy-4-[(2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dienylidene]-7-methylisochromen-1-one

Manual Xrefs	Databases
78436837	ChemSpider