input word = C00031176

Metabolite InformationStructural formula
Name Rivulobirin A
Formula C32H28O10
Mw 572.16824712
CAS RN 165198-53-8
C_ID C00031176 ,
InChIKey AVODUFXCUYKMAY-UHFFFAOYNA-N
InChICode InChI=1S/C32H28O10/c1-17(2)22(15-38-30-26-20(9-11-36-26)13-18-5-7-24(34)40-28(18)30)42-32(3,4)23(33)16-39-31-27-21(10-12-37-27)14-19-6-8-25(35)41-29(19)31/h5-14,22-23,33H,1,15-16H2,2-4H3/t22-,23-/m1/s1
SMILES c12c(cc3c(c1OC[C@@H](O)C(C)(C)O[C@H](COc1c4c(cc5c1occ5)ccc(=O)o4)C(=C)C)occ3)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeHeracleum candicans WALL. Ref.
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