input word = C00041714

Metabolite InformationStructural formula
Name Oppositine A
Formula C44H51NO18
Mw 881.31061384
CAS RN 917952-11-5
C_ID C00041714 ,
InChIKey JXYRJECRZDRDLF-JXTLSZJHNA-N
InChICode InChI=1S/C44H51NO18/c1-9-27-17-18-30(51)61-36-34(58-24(4)48)38(62-39(52)28-14-11-10-12-15-28)43(21-55-22(2)46)37(60-26(6)50)33(57-23(3)47)31-35(59-25(5)49)44(43,42(36,8)54)63-41(31,7)20-56-40(53)29-16-13-19-45-32(27)29/h10-16,19,27,31,33-38,54H,9,17-18,20-21H2,1-8H3/t27-,31-,33-,34+,35+,36+,37-,38+,41+,42+,43-,44+/m1/s1
SMILES [C@H]1([C@@]23[C@]4([C@H]([C@H]([C@@H]([C@]2(C)O)OC(=O)CC[C@H](c2c(C(=O)OC[C@](O3)([C@@H]1[C@H]([C@H]4OC(=O)C)OC(=O)C)C)cccn2)CC)OC(=O)C)OC(=O)c1ccccc1)COC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaePleurostylia opposita Ref.
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