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CHEBI:205070 - Cruentaren B

ChEBI IDCHEBI:205070
ChEBI NameCruentaren B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H51NO8
Net Charge0
Average Mass589.770
Monoisotopic Mass589.36147
SMILESCCCC(O)C(C)C(=O)NC/C=C\CC(C)C(O)C(C)C(O)C/C=C\CC(C)C1Cc2cc(OC)cc(O)c2C(=O)O1
InChIInChI=1S/C33H51NO8/c1-7-12-26(35)23(5)32(39)34-16-11-10-14-21(3)31(38)22(4)27(36)15-9-8-13-20(2)29-18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10-
InChIKeyMXMBYAYSVKOAKI-XESWYYRISA-N
Species of MetaboliteComponentSourceComments
Byssovorax cruenta (ncbitaxon:293647) - PubMed (17191683)
ChEBI Ontology
Outgoing Relation(s)
Cruentaren B (CHEBI:205070) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
N-[(2Z,10Z)-6,8-dihydroxy-13-(8-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromen-3-yl)-5,7-dimethyltetradeca-2,10-dienyl]-3-hydroxy-2-methylhexanamide
Manual XrefsDatabases
17250058ChemSpider