input word = C00041715

Metabolite InformationStructural formula
Name Oppositine B
Formula C44H51NO17
Mw 865.31569921
CAS RN 917952-12-6
C_ID C00041715 ,
InChIKey PWFIPRRXNKFZDH-UHFFFAOYNA-N
InChICode InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(58-26(6)49)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(59-27(7)50)43(44,21-54-23(3)46)39(36(34)57-25(5)48)61-40(52)29-14-11-10-12-15-29/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3/t22-,28+,32+,34+,35+,36+,37-,38-,39+,42-,43-,44+/m1/s1
SMILES [C@@H]1([C@]23[C@]4([C@H]([C@H]([C@H]([C@H]2C)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-Trp
Organism
Kingdom Family Species Reference
PlantaeCelastraceaePleurostylia opposita Ref.
zoom in