input word = C00047781

Metabolite InformationStructural formula
Name Caseobliquin A
(+)-Caseobliquin A
Formula C33H40O10
Mw 596.2621475
CAS RN 1189130-70-8
C_ID C00047781 ,
InChIKey NVVFTAMNEDAOEH-ZVZBESTENA-N
InChICode InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+/t19-,25-,27+,28+,30+,31+,32-,33+/m0/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@@]3([C@@H]1OC(=O)c1ccc(cc1)O)C(=C[C@@H](C2)OC(=O)C)[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 obliqua Ref.
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