input word = C00000527

Metabolite InformationStructural formula
Name Cassumunarin A
Formula C33H34O8
Mw 558.22536806
CAS RN 155518-35-7
C_ID C00000527 ,
InChIKey CTLWDLSCUILOFP-UWWKMJJMNA-N
InChICode InChI=1S/C33H34O8/c1-38-29-15-11-22(18-32(29)41-4)25-7-5-6-24(21-10-14-27(36)31(17-21)40-3)33(25)28(37)19-23(34)12-8-20-9-13-26(35)30(16-20)39-2/h5,7-19,24-25,33-36H,6H2,1-4H3/b12-8+,23-19-/t24-,25+,33-/m1/s1
SMILES c1c(c(ccc1[C@H]1[C@@H]([C@H](CC=C1)c1ccc(c(c1)OC)O)C(=O)/C=C(/C=C/c1cc(c(cc1)O)OC)\O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeZingiber cassumunar Ref.
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