input word = C00032136

Metabolite InformationStructural formula
Name Sinocrassoside B5
(-)-Sinocrassoside B5
Formula C42H54O24
Mw 942.30050266
CAS RN 909803-31-2
C_ID C00032136 ,
InChIKey GZNYTDCXOMAFRS-QHEDXWMLNA-N
InChICode InChI=1S/C42H54O24/c1-5-14(2)39(57)64-37-35(65-41-33(55)31(53)28(50)24(63-41)13-58-38(56)15(3)11-43)26(48)16(4)59-42(37)60-18-9-21(47)25-22(10-18)61-34(17-6-7-19(45)20(46)8-17)36(29(25)51)66-40-32(54)30(52)27(49)23(12-44)62-40/h6-10,14-16,23-24,26-28,30-33,35,37,40-50,52-55H,5,11-13H2,1-4H3/t14-,15-,16-,23+,24+,26-,27+,28+,30-,31-,32+,33+,35+,37+,40-,41-,42-/m0/s1
SMILES CC[C@H](C)C(=O)O[C@H]1[C@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)O[C@@H](C)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)C(C)CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula indica Ref.
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