input word = C00050341

Metabolite InformationStructural formula
Name Casearinol B
Formula C29H44O8
Mw 520.30361838
CAS RN 196090-45-6
C_ID C00050341 ,
InChIKey SISPBFQULSGJCZ-ONHOHKNINA-N
InChICode InChI=1S/C29H44O8/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/h9,11,17-18,21-24,26-27,32H,1,10,12-15H2,2-8H3/b16-11+/t17-,18-,21-,22+,23+,24+,26+,27-,28-,29+/m0/s1
SMILES C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)C23[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]2C[C@H](OC(=O)C(C)CC)C[C@@H]31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia guianensis Ref.
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OrganismCasearia guianensis
ReferenceHunter,J.Nat.Prod.,60,(1997),894