input word = C00046712

Metabolite InformationStructural formula
Name Deacetylpicracin
Formula C30H48O6
Mw 504.34508927
CAS RN 292159-36-5
C_ID C00046712 ,
InChIKey VESDWAYKWNLNFV-VXZJZYFUNA-N
InChICode InChI=1S/C30H48O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,18-21,23-24,31-32,34-36H,10,13-16H2,1-8H3/b12-11+/t18-,19+,20-,21-,23+,24+,27+,28-,29+,30+/m1/s1
SMILES [C@H]1([C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(CC[C@]1([C@]3(C[C@H]([C@@H]1[C@@](C(=O)/C=C/C(C)(O)C)(C)O)O)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariaeflora Ref.
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OrganismPicrorhiza scrophulariaeflora
ReferenceSmit,J.Nat.Prod.,63,(2000),1300