input word = C00031179

Metabolite InformationStructural formula
Name Rivulobirin E
Formula C32H30O11
Mw 590.1788118
CAS RN 237407-59-9
C_ID C00031179 ,
InChIKey OIZNBPDWHFCLKY-XHEJRLEYNA-N
InChICode InChI=1S/C32H30O11/c1-31(2,36)22(16-40-30-26-20(10-12-38-26)14-18-6-8-24(35)42-28(18)30)43-32(3,4)21(33)15-39-29-25-19(9-11-37-25)13-17-5-7-23(34)41-27(17)29/h5-14,21-22,33,36H,15-16H2,1-4H3/t21-,22-/m1/s1
SMILES CC(C)(O)[C@@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeHeracleum candicans WALL. Ref.
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