input word = C00063705

Metabolite InformationStructural formula
Name Crassifolioside
Formula C35H46O19
Mw 770.26332929
CAS RN 120693-47-2
C_ID C00063705
InChIKey IGQSSJMCEJLHAO-POHHJEECSA-N
InChICode InChI=1S/C35H46O19/c1-14-24(42)26(44)28(46)33(49-14)53-31-30(52-23(41)8-5-16-3-6-18(37)20(39)11-16)22(13-36)51-35(48-10-9-17-4-7-19(38)21(40)12-17)32(31)54-34-29(47)27(45)25(43)15(2)50-34/h3-8,11-12,14-15,22,24-40,42-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31-,32+,33-,34-,35+/m0/s1
SMILES CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(OC(=O)C=Cc3ccc(O)c(O)c3)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeStrobilanthes crispus Ref.
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