input word = C00031243

Metabolite InformationStructural formula
Name Rubianoside IV
Formula C36H60O10
Mw 652.41864814
CAS RN 468732-41-4
C_ID C00031243 ,
InChIKey XUXNHHRCNAWIND-MBQRRHEWNA-N
InChICode InChI=1S/C36H60O10/c1-17(2)19-12-21(40)29-35(7)9-8-18-25(34(35,6)10-11-36(19,29)16-38)20(39)13-24-32(3,4)30(22(41)14-33(18,24)5)46-31-28(44)27(43)26(42)23(15-37)45-31/h8,17,19-31,37-44H,9-16H2,1-7H3/t19-,20-,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(C[C@H]([C@@H](C3(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)O)C)C)([C@@H](C[C@H]2O)C(C)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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