input word = C00041007

Metabolite InformationStructural formula
Name Hypoglaunine B
(+)-Hypoglaunine B
Formula C41H47NO20
Mw 873.26914295
CAS RN 220750-98-1
C_ID C00041007 ,
InChIKey WLAFFGCMQBVKFL-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(59-23(6)47)40(17-54-19(2)43)33(60-35(49)26-11-10-14-53-26)29(57-21(4)45)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-22(5)46/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28-,29+,30-,31-,32+,33+,37+,38-,39-,40+,41-/m0/s1
SMILES [C@H]1([C@]23[C@@]([C@@H]4[C@H]([C@H]([C@]2([C@@H]([C@H]([C@H]1[C@](O3)(COC(=O)c1c(ccnc1)[C@@H]([C@@](C(=O)O4)(O)C)C)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)c1occc1)OC(=O)C)(C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Hook.f. Ref.
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