CHEBI:177995 - Scorzonoside

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ChEBI Name Scorzonoside
ChEBI ID CHEBI:177995
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O12
Net Charge 0
Average Mass 550.557
Monoisotopic Mass 550.20503
InChI InChI=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+
InChIKey MQDDAWSOEYTMBZ-SNAWJCMRSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C3OC4=C(C3CO)C=C(C=C4OC)/C=C/CO)C=C2OC)CO
Metabolite of Species Details
Bombyx mori (NCBI:txid7091) Found in hemolymph (BTO:0000572).
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0038718 HMDB
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