input word = C00031178

Metabolite InformationStructural formula
Name Rivulobirin D
(-)-Rivulobirin D
Formula C32H30O11
Mw 590.1788118
CAS RN 208997-58-4
C_ID C00031178 ,
InChIKey RQSPCDMBNUXDLD-QHYBAFDJNA-N
InChICode InChI=1S/C32H30O11/c1-30(2,35)21(33)15-38-29-25-20(9-12-37-25)14-18-7-10-32(42-27(18)29)41-22(31(3,4)43-32)16-39-28-24-19(8-11-36-24)13-17-5-6-23(34)40-26(17)28/h5-14,21-22,33,35H,15-16H2,1-4H3/t21-,22+,32-/m1/s1
SMILES c12c(cc3c(c1OC[C@@H](O)C(C)(O)C)occ3)C=C[C@]1(O2)O[C@@H](COc2c3c(cc4c2occ4)ccc(=O)o3)C(O1)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeHeracleum candicans WALL. Ref.
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