input word = C00047782

Metabolite InformationStructural formula
Name Caseobliquin B
Formula C35H42O9
Mw 606.28288294
CAS RN 128572-39-4
C_ID C00047782 ,
InChIKey NCMOHDQDZGQJRD-XXCNWPQQNA-N
InChICode InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27+,29+,30+,32+,33+,34-,35-/m0/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@]3([C@@H]1OC(=O)/C=C/c1ccccc1)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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