input word = C00041005

Metabolite InformationStructural formula
Name Hypoglaunine
Formula C41H47NO20
Mw 873.26914295
CAS RN 228259-16-3
C_ID C00041005 ,
InChIKey SNHDYNFTVFWAHX-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-11-13-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28+,29+,30-,31-,32+,33+,37+,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@](C(=O)O4)(O)C)C)C)OC(=O)C)OC(=O)C)COC(=O)c1cocc1)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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OrganismTripterygium hypoglaucum Hook.f.
ReferenceLi,Phytochem.,50,(1999),1091