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 CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariaeflora Ref.
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