input word = C00037737

Metabolite InformationStructural formula
Name Rivaloside D
(-)-Rivaloside D
Formula C42H68O15
Mw 812.4558215
CAS RN 308249-22-1
C_ID C00037737 ,
InChIKey AQZOISAEYXSCFM-VXYAXDDTNA-N
InChICode InChI=1S/C42H68O15/c1-37(2)12-14-42(36(53)57-35-31(50)29(48)27(46)22(56-35)18-54-34-30(49)28(47)26(45)21(17-43)55-34)15-13-40(6)19(25(42)33(37)52)8-9-24-39(5)16-20(44)32(51)38(3,4)23(39)10-11-41(24,40)7/h8,20-35,43-52H,9-18H2,1-7H3/t20-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,39+,40-,41-,42+/m1/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC([C@H]1O)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGalium rivale Ref.
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