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CHEBI:223085 - Cryptoporic acid B

Default Structure
ChEBI IDCHEBI:223085
ChEBI NameCryptoporic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O8
Net Charge0
Average Mass440.533
Monoisotopic Mass440.24102
SMILESC=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC
InChIInChI=1S/C23H36O8/c1-14-7-8-17-22(2,13-24)9-6-10-23(17,3)16(14)12-31-19(21(28)30-5)15(11-18(25)26)20(27)29-4/h15-17,19,24H,1,6-13H2,2-5H3,(H,25,26)/t15-,16-,17-,19+,22-,23+/m0/s1
InChIKeyFCYLLGSBJNTSAP-DZYDHYRWSA-N
Species of MetaboliteComponentSourceComments
Cryptoporus volvatus (ncbitaxon:40431) - DOI (10.1016/s0040-4039(01)91358-9)
ChEBI Ontology
Outgoing Relation(s)
Cryptoporic acid B (CHEBI:223085) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3S,4R)-4-[[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid
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