input word = C00038808

Metabolite InformationStructural formula
Name Clemochinenoside B
(+)-Clemochinenoside B
Formula C29H34O17
Mw 654.17959966
CAS RN 905298-20-6
C_ID C00038808 ,
InChIKey UOONOYCRERCRDU-IYHMBSKQNA-N
InChICode InChI=1S/C29H34O17/c1-38-14-6-11-4-5-13(14)43-28-23(34)21(32)19(30)17(44-28)10-42-27(37)12-7-15(39-2)25(16(8-12)40-3)46-29-24(35)22(33)20(31)18(45-29)9-41-26(11)36/h4-8,17-24,28-35H,9-10H2,1-3H3/t17-,18+,19-,20-,21-,22-,23+,24+,28+,29-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]([C@H]([C@@H](O1)Oc1c(cc(cc1OC)C(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc1ccc(C(=O)OC2)cc1OC)O)O)O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina polycephala Benth Ref.
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