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CHEBI:202432 - Botcineric acid

ChEBI IDCHEBI:202432
ChEBI NameBotcineric acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O8
Net Charge0
Average Mass430.538
Monoisotopic Mass430.25667
SMILESCCCCCC[C@H](O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)([C@@H](O)[C@@H](C)C(=O)O)O[C@H]1C
InChIInChI=1S/C22H38O8/c1-6-7-8-9-10-16(23)11-12-17(24)29-18-13(2)19(25)22(5,30-15(18)4)20(26)14(3)21(27)28/h11-16,18-20,23,25-26H,6-10H2,1-5H3,(H,27,28)/b12-11+/t13-,14-,15+,16+,18-,19+,20+,22+/m1/s1
InChIKeyCIZAXJJDWVUEEL-AFQFPRFFSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (16643065)
ChEBI Ontology
Outgoing Relation(s)
Botcineric acid (CHEBI:202432) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2R,3S)-3-hydroxy-3-[(2S,3S,4S,5R,6S)-3-hydroxy-5-[(E,4S)-4-hydroxydec-2-enoyl]oxy-2,4,6-trimethyloxan-2-yl]-2-methylpropanoic acid
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9886397ChemSpider