Mutadione B (CHEBI:205389)

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CHEBI:205389 - Mutadione B

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ChEBI ID	CHEBI:205389
ChEBI Name	Mutadione B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C46H68O7
Net Charge	0
Average Mass	733.043
Monoisotopic Mass	732.49650
SMILES	CCCCC/C=C\C/C=C\CCCCCCCc1c(O)c(O)cc2c1[C@@]1(C(=O)O2)C(=O)C(O)=C(CCCCCCC/C=C\CCCCCCCC)C1=O
InChI	InChI=1S/C46H68O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-39(35-38(47)41(36)48)53-45(52)46(40)43(50)37(42(49)44(46)51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,47-49H,3-10,12,14-16,21-34H2,1-2H3/b13-11-,19-17-,20-18-/t46-/m0/s1
InChIKey	RRSMSPTXIGQVCC-SCHDRJDNSA-N

Species of Metabolite	Component	Source	Comments
Hapalopilus mutans (ncbitaxon:114825)	-	DOI (10.1002/(sici)1099-0690(199905)1999:5<1051::aid-ejoc1051>3.0.co;2-9)

ChEBI Ontology

Outgoing Relation(s)
	Mutadione B (CHEBI:205389) is a benzofurans (CHEBI:35259)

IUPAC Name
4-[(8Z,11Z)-heptadeca-8,11-dienyl]-4'-[(Z)-heptadec-8-enyl]-5,5',6-trihydroxyspiro[1-benzouran-3,2'-cyclopent-4-ene]-1',2,3'-trione

Manual Xrefs	Databases
8946569	ChemSpider