Deschloro-merochlorin A (CHEBI:226812)

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CHEBI:226812 - Deschloro-merochlorin A

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ChEBI ID	CHEBI:226812
ChEBI Name	Deschloro-merochlorin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C25H30O4
Net Charge	0
Average Mass	394.511
Monoisotopic Mass	394.21441
SMILES	CC(C)=CCC[C@]1(C)[C@@H]2C(=O)c3c(O)cc(O)cc3[C@@]3(CC(=C(C)C)C[C@@H]13)C2=O
InChI	InChI=1S/C25H30O4/c1-13(2)7-6-8-24(5)19-9-15(14(3)4)12-25(19)17-10-16(26)11-18(27)20(17)22(28)21(24)23(25)29/h7,10-11,19,21,26-27H,6,8-9,12H2,1-5H3/t19-,21+,24-,25+/m0/s1
InChIKey	QHMTWUPGGIBSFH-JNWPTLATSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies CNH189 (ncbitaxon:1136432)	-	PubMed (25147132)

ChEBI Ontology

Outgoing Relation(s)
	Deschloro-merochlorin A (CHEBI:226812) is a naphthoquinone (CHEBI:25481)

IUPAC Name
(1S,9S,10S,11S)-4,6-dihydroxy-10-methyl-10-(4-methylpent-3-enyl)-13-propan-2-ylidenetetracyclo[7.5.1.01,11.02,7]pentadeca-2(7),3,5-triene-8,15-dione

Manual Xrefs	Databases
34981307	ChemSpider