input word = C00046860

Metabolite InformationStructural formula
Name Picracin
Formula C32H50O7
Mw 546.35565395
CAS RN 99816-46-3
C_ID C00046860 ,
InChIKey IKSJKQPSKMJELE-NHGZAVLDNA-N
InChICode InChI=1S/C32H50O7/c1-18(33)39-27(2,3)13-12-24(36)32(9,38)25-22(35)17-31(8)23-11-10-19-20(16-21(34)26(37)28(19,4)5)29(23,6)14-15-30(25,31)7/h10,12-13,20-23,25-26,34-35,37-38H,11,14-17H2,1-9H3/b13-12+/t20-,21+,22-,23-,25+,26+,29+,30-,31+,32+/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)(C)OC(=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