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CHEBI:177995 - Scorzonoside

ChEBI IDCHEBI:177995
ChEBI NameScorzonoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O12
Net Charge0
Average Mass550.557
Monoisotopic Mass550.20503
SMILESCOc1cc(C2Oc3c(OC)cc(/C=C/CO)cc3C2CO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C27H34O12/c1-34-17-8-13(5-4-6-28)7-15-16(11-29)24(38-25(15)17)14-9-18(35-2)26(19(10-14)36-3)39-27-23(33)22(32)21(31)20(12-30)37-27/h4-5,7-10,16,20-24,27-33H,6,11-12H2,1-3H3/b5-4+
InChIKeyMQDDAWSOEYTMBZ-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
Scorzonoside (CHEBI:177995) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-(hydroxymethyl)-6-[4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzouran-2-yl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038718HMDB