input word = C00042340

Metabolite InformationStructural formula
Name Caseamembrin N
(+)-Caseamembrin N
Formula C30H42O10
Mw 562.27779756
CAS RN 870538-05-9
C_ID C00042340 ,
InChIKey GFJLYOYUCCNCHS-HKLIWWBHNA-N
InChICode InChI=1S/C30H42O10/c1-9-11-24(34)39-21-14-22-27(37-19(6)32)40-28(38-20(7)33)30(22)23(15-21)29(8,13-12-16(3)10-2)17(4)25(26(30)35)36-18(5)31/h10,14,17,21,23,25-28,35H,2-3,9,11-13,15H2,1,4-8H3/t17-,21+,23+,25+,26+,27+,28-,29+,30-/m1/s1
SMILES [C@@H]1([C@H]([C@@]([C@H]2[C@@]3([C@H]1O)C(=C[C@@H](C2)OC(=O)CCC)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(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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OrganismCasearia membranacea
ReferenceShen,J.Nat.Prod.,68,(2005),1665