input word = C00063859

Metabolite InformationStructural formula
Name Koelzioside
Formula C41H46O17
Mw 810.27350005
CAS RN 141968-12-9
C_ID C00063859
InChIKey NKORFEGGMJANHB-UHFFFAOYSA-N
InChICode InChI=1S/C41H46O17/c1-21-33(52-22(2)44)35(54-27(45)15-13-23-9-5-3-6-10-23)36(55-28(46)16-14-24-11-7-4-8-12-24)40(51-21)56-34-25-17-18-50-38(29(25)41(20-43)37(34)58-41)57-39-32(49)31(48)30(47)26(19-42)53-39/h3-18,21,25-26,29-40,42-43,47-49H,19-20H2,1-2H3
SMILES CC(=O)OC1C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(=O)C=Cc2ccccc2)C1OC(=O)C=Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia deserti Ref.
PlantaeScrophulariaceaeScrophularia lepidota Ref.
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