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=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)C23C(=C[C@@H](OC(=O)C(C)CC)C[C@@H]21)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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