input word = C00044322

Metabolite InformationStructural formula
Name Squamocin I
Formula C35H62O6
Mw 578.45463971
CAS RN 159993-37-0
C_ID C00044322 ,
InChIKey QAVQPBYIAQGAIO-CNHIKCKRNA-N
InChICode InChI=1S/C35H62O6/c1-3-4-5-6-7-11-14-17-20-29(36)31-22-24-33(40-31)34-25-23-32(41-34)30(37)21-18-15-12-9-8-10-13-16-19-28-26-27(2)39-35(28)38/h26-27,29-34,36-37H,3-25H2,1-2H3/t27-,29+,30-,31+,32+,33+,34+/m0/s1
SMILES C(CCCCCCCC[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)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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