input word = C00063981

Metabolite InformationStructural formula
Name Strobilanthoside B
Formula C45H44N2O17
Mw 884.263998
CAS RN 1639040-75-7
C_ID C00063981
InChIKey KQIPEPRZRUKFQX-ITMSULTJSA-N
InChICode InChI=1S/C45H44N2O17/c1-20-33(53)34(54)35(55)43(60-20)63-39-36(56)42(61-30(19-48)38(39)62-31(52)15-11-21-10-13-27(49)29(51)18-21)59-17-16-22-12-14-28(50)37-32(22)44(40(57)23-6-2-4-8-25(23)46-44)45(64-37)41(58)24-7-3-5-9-26(24)47-45/h2-15,18,20,30,33-36,38-39,42-43,46-51,53-56H,16-17,19H2,1H3/b15-11+/t20-,30+,33-,34+,35+,36+,38+,39+,42+,43-,44-,45+/m0/s1
SMILES CC1OC(OC2C(O)C(OCCc3ccc(O)c4c3C3(Nc5ccccc5C3=O)C3(Nc5ccccc5C3=O)O4)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeStrobilanthes cusia Ref.
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