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 C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@H]([C@H]([C@@]1(OC4)O)O)C)OC(=O)CC(C)(C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSoulamea tomentosa Ref.
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OrganismSoulamea tomentosa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58