Sch-42137-13-acetate (CHEBI:208290)

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CHEBI:208290 - Sch-42137-13-acetate

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ChEBI ID	CHEBI:208290
ChEBI Name	Sch-42137-13-acetate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H29NO11
Net Charge	0
Average Mass	591.569
Monoisotopic Mass	591.17406
SMILES	CCc1cc2c3c4c(c(O)c2c(=O)n1C)-c1c(c(OC)c2oc5c(c(=O)c2c1O)C(OC(C)=O)CCC5O)C[C@@H]4OCO3
InChI	InChI=1S/C31H29NO11/c1-5-12-8-13-19(31(38)32(12)3)25(36)22-18-14(9-17-20(22)27(13)41-10-40-17)28(39-4)30-23(24(18)35)26(37)21-16(42-11(2)33)7-6-15(34)29(21)43-30/h8,15-17,34-36H,5-7,9-10H2,1-4H3/t15?,16?,17-/m0/s1
InChIKey	LXIYUOHIQKKZGT-JCYILVPMSA-N

Species of Metabolite	Component	Source	Comments
Actinoplanesspecies (ncbitaxon:1871)	-	PubMed (1592676)

ChEBI Ontology

Outgoing Relation(s)
	Sch-42137-13-acetate (CHEBI:208290) is a xanthones (CHEBI:51149)

IUPAC Name
[(17S)-24-ethyl-3,10,28-trihydroxy-14-methoxy-25-methyl-5,26-dioxo-12,18,20-trioxa-25-azaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.022,27]nonacosa-1(28),2(15),3,6(11),13,21(29),22(27),23-octaen-7-yl] acetate

Manual Xrefs	Databases
78439940	ChemSpider