input word = C00043802

Metabolite InformationStructural formula
Name Paniculatumoside B
(+)-Paniculatumoside B
Formula C28H40O10
Mw 536.2621475
CAS RN 655231-91-7
C_ID C00043802 ,
InChIKey NAKHVZIFCGVCRS-SOVBYRMLNA-N
InChICode InChI=1S/C28H40O10/c1-13-24(30)19(33-4)11-21(35-13)36-15-7-8-27(2)14(9-15)10-18(29)22-17(27)6-5-16-23-20(37-26(22)32)12-34-28(23,3)38-25(16)31/h5,10,13,15,17-25,29-31H,6-9,11-12H2,1-4H3/b16-5-/t13-,15+,17+,18-,19-,20-,21+,22+,23-,24-,25-,27+,28-/m1/s1
SMILES C1[C@@H](CC2=C[C@H]([C@@H]3[C@@H]([C@]2(C1)C)C/C=C\1/[C@@H]2[C@H](OC3=O)CO[C@@]2(O[C@H]1O)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum paniculatum Ref.
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OrganismCynanchum paniculatum
ReferenceLi,J.Nat.Prod.,67,(2004),82