input word = C00040912

Metabolite InformationStructural formula
Name Casearin G
(+)-Casearin G
Formula C29H42O8
Mw 518.28796832
CAS RN 134955-62-7
C_ID C00040912 ,
InChIKey LIVDKPZTNKXCNI-PLJJRNAENA-N
InChICode InChI=1S/C29H42O8/c1-9-11-25(32)36-23-16-29-22(26(34-19(5)30)37-27(29)35-20(6)31)14-21(33-8)15-24(29)28(7,18(23)4)13-12-17(3)10-2/h10,12,14,18,21,23-24,26-27H,2,9,11,13,15-16H2,1,3-8H3/b17-12-/t18-,21+,23+,24+,26+,27-,28+,29-/m1/s1
SMILES C=C/C(C)=CC[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)C[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia sylvestris Ref.
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