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 [C@H]12[C@@](CC[C@@]3([C@@]1(CC=C1[C@H]3[C@H](C[C@H]3[C@@]1(CC[C@@H](C3(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)C)([C@@H](C[C@H]2O)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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