input word = C00003732

Metabolite InformationStructural formula
Name Soularubinone
Formula C25H34O10
Mw 494.21519731
CAS RN 74156-49-3
C_ID C00003732 ,
InChIKey BASHMUPTLJHSQJ-BRLRCDAVNA-N
InChICode InChI=1S/C25H34O10/c1-10-6-13(26)19(29)23(5)12(10)7-14-24-9-33-25(32,21(23)24)18(28)11(2)16(24)17(20(30)34-14)35-15(27)8-22(3,4)31/h6,11-12,14,16-19,21,28-29,31-32H,7-9H2,1-5H3/t11-,12+,14-,16-,17-,18-,19-,21-,23-,24+,25+/m1/s1
SMILES CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@]35[C@H]([C@@H](C)[C@H]4O)[C@@H](OC(=O)CC(C)(C)O)C(=O)O[C@@H]5C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSoulamea tomentosa Ref.
zoom in