input word = C00044319

Metabolite InformationStructural formula
Name Squamocin B
Formula C35H62O7
Mw 594.44955433
CAS RN 159934-23-3
C_ID C00044319 ,
InChIKey XJTBKNFACRAPEK-BCFCFVNLNA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3/t26-,28-,29+,30-,31-,32+,33+,34+/m0/s1
SMILES CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@H](O1)[C@@H](CCCCCCCCCCC1=C[C@@H](OC1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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