input word = C00032135

Metabolite InformationStructural formula
Name Sinocrassoside B4
(-)-Sinocrassoside B4
Formula C38H48O22
Mw 856.26372322
CAS RN 909803-30-1
C_ID C00032135 ,
InChIKey LCTVQCQZINEREW-RDPBEFQKNA-N
InChICode InChI=1S/C38H48O22/c1-4-12(2)35(52)58-34-32(59-36-29(50)27(48)24(45)20(10-39)56-36)23(44)13(3)53-38(34)54-15-8-18(43)22-19(9-15)55-31(14-5-6-16(41)17(42)7-14)33(26(22)47)60-37-30(51)28(49)25(46)21(11-40)57-37/h5-9,12-13,20-21,23-25,27-30,32,34,36-46,48-51H,4,10-11H2,1-3H3/t12-,13-,20+,21+,23-,24+,25+,27-,28-,29+,30+,32+,34+,36-,37-,38-/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](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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