input word = C00036240

Metabolite InformationStructural formula
Name Vielanin D
Formula C32H42O7
Mw 538.2930537
CAS RN 637338-25-1
C_ID C00036240 ,
InChIKey NJKPJOXZONOTJC-GMQNYGSDNA-N
InChICode InChI=1S/C32H42O7/c1-14(2)19-11-20-17(5)25-26-27(35)24-15(3)13-31(36)23(29(7,8)38-39-31)12-21(24)30(26,9)32(20,16(4)10-22(19)34)28(25)37-18(6)33/h12,14-16,19,25-26,28,36H,10-11,13H2,1-9H3/t15-,16-,19+,25+,26+,28+,30-,31-,32+/m1/s1
SMILES [C@H]12[C@]([C@]34C(=C([C@@H]1[C@@H]4OC(=O)C)C)C[C@H](C(=O)C[C@H]3C)C(C)C)(C1=C(C2=O)[C@@H](C[C@@]2(C(=C1)C(OO2)(C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia vielana Ref.
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