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CHEBI:188515 - carolacton

ChEBI IDCHEBI:188515
ChEBI Namecarolacton
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O8
Net Charge0
Average Mass468.587
Monoisotopic Mass468.27232
SMILESCO[C@H](CC(=O)O)[C@@H](C)C(=O)[C@H](C)/C=C(\C)[C@H]1OC(=O)[C@H](O)[C@H](O)/C=C/[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C25H40O8/c1-14-8-7-9-15(2)24(33-25(31)23(30)19(26)11-10-14)17(4)12-16(3)22(29)18(5)20(32-6)13-21(27)28/h10-12,14-16,18-20,23-24,26,30H,7-9,13H2,1-6H3,(H,27,28)/b11-10+,17-12+/t14-,15+,16-,18-,19-,20-,23-,24+/m1/s1
InChIKeyWCKOGWVWLFJJJX-ZCXGUVEESA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
carolacton (CHEBI:188515) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(E,3R,4R,6R)-8-[(2S,3S,7R,8E,10R,11R)-10,11-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxonon-7-enoic acid
Manual XrefsDatabases
28287364ChemSpider
C3RPDBeChem