input word = C00044208

Metabolite InformationStructural formula
Name Javoricin
Formula C35H64O7
Mw 596.4652044
CAS RN 172588-18-0
C_ID C00044208 ,
InChIKey DRFBUADSYRWIKE-FQGKUTAINA-N
InChICode InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-12-11-13-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1
SMILES O1[C@H](C=C(C1=O)C[C@H](O)CCCCCCC[C@@H](O)CC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCC)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeAnnonaceaeRollinia mucosa Ref.
PlantaeAnnonaceaeRollinia muricata Ref.
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