input word = C00055487

Metabolite InformationStructural formula
Name Annonebinide A
Formula C40H64O3
Mw 592.48554591
CAS RN 256648-85-8
C_ID C00055487
InChIKey JAFIYHIDNOYHEK-DOQJFJIFSA-N
InChICode InChI=1S/C40H64O3/c1-34(2)15-7-17-36(5)29(34)13-19-38-21-26(9-11-31(36)38)28(23-38)33(41)43-25-40(42)24-39-20-14-30-35(3,4)16-8-18-37(30,6)32(39)12-10-27(40)22-39/h26-32,42H,7-25H2,1-6H3/t26-,27-,28-,29-,30-,31+,32+,36-,37-,38+,39+,40+/m1/s1
SMILES CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC[C@@]1(O)C[C@@]24CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]2CC[C@@H]1C4)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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