input word = C00052812

Metabolite InformationStructural formula
Name Annocatacin A
Formula C35H62O6
Mw 578.45463971
CAS RN 582298-55-3
C_ID C00052812
InChIKey XCXFDOLZQKIYBP-GRSBAPKZSA-N
InChICode InChI=1S/C35H62O6/c1-3-4-5-6-9-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-8-7-10-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3/t27-,29-,30+,31-,32-,33-,34-/m0/s1
SMILES C[C@@H]1OC(C(C[C@@H](O)CCCCCCCCCC[C@H]2O[C@@]([C@@]3([H])O[C@@]([C@@H](O)CCCCCCCCC)([H])CC3)([H])CC2)=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
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