CHEBI:80391 - Medicarpin 3-O-glucoside-6'-malonate

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ChEBI Name Medicarpin 3-O-glucoside-6'-malonate
ChEBI ID CHEBI:80391
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H26O12
Net Charge 0
Average Mass 518.46670
Monoisotopic Mass 518.14243
InChI InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1
InChIKey BQAJKXKYTQTBDK-PCHDOLKHSA-N
SMILES COc1ccc2[C@@H]3COc4cc(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@@H]3Oc2c1
ChEBI Ontology
Outgoing Medicarpin 3-O-glucoside-6'-malonate (CHEBI:80391) is a pterocarpans (CHEBI:26377)
Manual Xrefs Databases
C00010184 KNApSAcK
C16224 KEGG COMPOUND
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