input word = C00041009

Metabolite InformationStructural formula
Name Hypoglaunine D
(+)-Hypoglaunine D
Formula C41H47NO19
Mw 857.27422833
CAS RN 220751-00-8
C_ID C00041009 ,
InChIKey KQXBVFVORGQCER-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-21(4)44)34(59-24(7)47)40(17-54-37(50)27-11-10-14-52-27)33(58-23(6)46)29(55-20(3)43)28-31(57-22(5)45)41(40,39(32,9)51)61-38(28,8)16-53-36(49)26-15-42-13-12-25(18)26/h10-15,18-19,28-34,51H,16-17H2,1-9H3/t18-,19-,28-,29+,30-,31-,32+,33-,34-,38-,39-,40+,41+/m1/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@H](C(=O)O4)C)C)C)OC(=O)C)OC(=O)C)COC(=O)c1occc1)OC(=O)C)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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