input word = C00031653

Metabolite InformationStructural formula
Name Caseamembrol A
Formula C29H42O8
Mw 518.28796832
CAS RN 723302-01-0
C_ID C00031653 ,
InChIKey FGGPIWICAGRSLN-GMLCYCGNNA-N
InChICode InChI=1S/C29H42O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9,11,14,17-18,21,23-24,26-27,32H,1,10,12-13,15H2,2-8H3/b16-11+/t17-,18-,21-,23+,24+,26+,27-,28-,29+/m1/s1
SMILES C1[C@H]([C@]([C@H]2[C@]3([C@H]1O)C(=C[C@H](C2)OC(=O)[C@H](C)CC)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(C/C=C(\C)/C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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