input word = C00035110

Metabolite InformationStructural formula
Name Harprocumbide B
Formula C24H28O12
Mw 508.15807636
CAS RN 906563-59-5
C_ID C00035110 ,
InChIKey PRYABGKDJFUETA-HMHIVUEANA-N
InChICode InChI=1S/C24H28O12/c1-23-18-22(32-9-8-24(18,31)19(30)20(23)36-23)35-21-17(29)16(28)15(27)13(34-21)10-33-14(26)7-4-11-2-5-12(25)6-3-11/h2-9,13,15-22,25,27-31H,10H2,1H3/b7-4-/t13-,15-,16+,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1
SMILES C[C@]12O[C@H]1[C@H](O)[C@]1(O)C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)/C=Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePedaliaceaeHarpagophytum prucumbens D.C. Ref.
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OrganismHarpagophytum prucumbens D.C.
ReferenceQi,Phytochem.,67,(2006),1372