Xanthomonadin I (CHEBI:223468)

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CHEBI:223468 - Xanthomonadin I

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ChEBI ID	CHEBI:223468
ChEBI Name	Xanthomonadin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H30Br2O3
Net Charge	0
Average Mass	574.353
Monoisotopic Mass	572.05617
SMILES	COc1cc(/C(Br)=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC(C)C)ccc1Br
InChI	InChI=1S/C28H30Br2O3/c1-23(2)22-33-28(31)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25(29)24-19-20-26(30)27(21-24)32-3/h4-21,23H,22H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,18-16+,25-17-
InChIKey	BYOONNMUFDGRQH-FKBBIVLOSA-N

Species of Metabolite	Component	Source	Comments
Xanthomonas (ncbitaxon:338)	-	DOI (10.1016/s0040-4039(00)92565-6)

ChEBI Ontology

Outgoing Relation(s)
	Xanthomonadin I (CHEBI:223468) is a methoxybenzenes (CHEBI:51683)

IUPAC Name
2-methylpropyl (2E,4E,6E,8E,10E,12E,14E,16Z)-17-bromo-17-(4-bromo-3-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate

Manual Xrefs	Databases
78434915	ChemSpider