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CHEBI:226178 - Pestalotioquinoside B

ChEBI IDCHEBI:226178
ChEBI NamePestalotioquinoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O8
Net Charge0
Average Mass486.561
Monoisotopic Mass486.22537
SMILESC=C(C#Cc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O)CC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C27H34O8/c1-16(9-6-10-18(3)26(32)33)7-5-8-17(2)11-12-20-15-21(13-14-22(20)28)35-27-25(31)24(30)23(29)19(4)34-27/h7,10,13-15,19,23-25,27-31H,2,5-6,8-9H2,1,3-4H3,(H,32,33)/b16-7+,18-10+/t19-,23-,24+,25+,27-/m0/s1
InChIKeyTUIHVKXTFHEDJH-JLOQYJDQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (32283019)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinoside B (CHEBI:226178) is a glycoside (CHEBI:24400)
IUPAC Name 
(2E,6E)-12-[2-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-2,6-dimethyl-10-methylidenedodeca-2,6-dien-11-ynoic acid
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