input word = C00046363

Metabolite InformationStructural formula
Name Rubiarboside A
Yesanchinoside H
Formula C38H62O10
Mw 678.4342982
CAS RN 142778-16-3
C_ID C00046363 ,
InChIKey IIEZTQGGXCNWOJ-NZPVBGQYNA-N
InChICode InChI=1S/C38H62O10/c1-18(2)21-14-23(42)31-35(21,6)12-13-37(8)27-20(10-11-38(31,37)9)36(7)16-24(46-19(3)40)32(34(4,5)26(36)15-22(27)41)48-33-30(45)29(44)28(43)25(17-39)47-33/h10,18,21-33,39,41-45H,11-17H2,1-9H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,35-,36+,37-,38+/m0/s1
SMILES C1[C@H]([C@]2([C@H]([C@@H]1O)[C@@]1([C@@](CC2)([C@H]2C(=CC1)[C@@]1([C@H](C[C@@H]2O)C([C@H]([C@@H](C1)OC(=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C)C)C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
PlantaeRubiaceaeRubia yunnanensis Ref.
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