input word = C00031241

Metabolite InformationStructural formula
Name Rubianoside II
Formula C36H60O8
Mw 620.42881889
CAS RN 644967-42-0
C_ID C00031241 ,
InChIKey XXLKHIOYFWRVBV-LEBZUOJQNA-N
InChICode InChI=1S/C36H60O8/c1-18(2)20-15-22(39)30-34(20,6)13-14-35(7)26-19(9-12-36(30,35)8)33(5)11-10-25(32(3,4)24(33)16-21(26)38)44-31-29(42)28(41)27(40)23(17-37)43-31/h9,18,20-31,37-42H,10-17H2,1-8H3/t20-,21-,22+,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34-,35-,36+/m0/s1
SMILES CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CCC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1C[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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