input word = C00013802

Metabolite InformationStructural formula
Name 4''''-Acetylsagittatin A
Kaempferol 3-xylosyl(1->2)rhamnoside-7-(4''-acetylrhamnoside)
Formula C34H40O19
Mw 752.2163791
CAS RN 174284-22-1
C_ID C00013802 ,
InChIKey RPDNKMCDJHBQTM-LWUHEMKKNA-N
InChICode InChI=1S/C34H40O19/c1-11-21(39)24(42)31(53-32-26(44)22(40)18(38)10-46-32)34(47-11)52-30-23(41)20-17(37)8-16(9-19(20)51-29(30)14-4-6-15(36)7-5-14)50-33-27(45)25(43)28(12(2)48-33)49-13(3)35/h4-9,11-12,18,21-22,24-28,31-34,36-40,42-45H,10H2,1-3H3/t11-,12-,18+,21-,22-,24+,25-,26-,27-,28-,31-,32-,33-,34-/m0/s1
SMILES CC(=O)O[C@H]1C(C)O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O[C@@H]4OC[C@@H](O)[C@H](O)C4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe streptantha Ref.
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OrganismKalanchoe streptantha
ReferenceCosta,J.Nat.Prod.,59,(1996),327