input word = C00042338

Metabolite InformationStructural formula
Name Caseamembrin D
(+)-Caseamembrin D
Formula C33H48O10
Mw 604.32474775
CAS RN 664351-49-9
C_ID C00042338 ,
InChIKey ZWHARZIRGKBMPI-DHQATKSDNA-N
InChICode InChI=1S/C33H48O10/c1-10-13-26(36)42-30-24-16-23(41-29(38)19(5)12-3)17-25-32(9,15-14-18(4)11-2)20(6)27(39-21(7)34)28(37)33(24,25)31(43-30)40-22(8)35/h11,16,19-20,23,25,27-28,30-31,37H,2,4,10,12-15,17H2,1,3,5-9H3/t19-,20+,23-,25-,27-,28-,30-,31+,32-,33-/m1/s1
SMILES [C@H]1([C@@H]([C@]([C@@H]2[C@@]3([C@@H]1O)C(=C[C@H](C2)OC(=O)[C@@H](CC)C)[C@@H](O[C@@H]3OC(=O)C)OC(=O)CCC)(CCC(=C)C=C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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