input word = C00063635

Metabolite InformationStructural formula
Name Hydropiperoside B
Formula C52H52O22
Mw 1028.29502335
CAS RN 1086459-02-0
C_ID C00063635
InChIKey AXVSNYBBIVATQP-RKATWORTSA-N
InChICode InChI=1S/C52H52O22/c1-29(53)70-49-48(64)46(62)40(26-67-43(59)21-12-32-8-18-36(56)38(24-32)65-2)71-51(49)74-52(28-69-44(60)22-13-33-9-19-37(57)39(25-33)66-3)50(72-45(61)23-11-31-6-16-35(55)17-7-31)47(63)41(73-52)27-68-42(58)20-10-30-4-14-34(54)15-5-30/h4-25,40-41,46-51,54-57,62-64H,26-28H2,1-3H3/b20-10+,21-12+,22-13+,23-11+/t40-,41-,46-,47-,48+,49-,50+,51-,52+/m1/s1
SMILES COc1cc(C=CC(=O)OCC2OC(OC3(COC(=O)C=Cc4ccc(O)c(OC)c4)OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C3OC(=O)C=Cc3ccc(O)cc3)C(OC(C)=O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum hydropiper Ref.
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