input word = C00044190

Metabolite InformationStructural formula
Name Guanacone
Formula C37H64O7
Mw 620.4652044
CAS RN 212616-61-0
C_ID C00044190 ,
InChIKey WWBQKABSNQOYBU-MJQDJIKVNA-N
InChICode InChI=1S/C37H64O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,31-36,39-40H,3-26H2,1-2H3/t28-,31-,32+,33+,34+,35+,36+/m0/s1
SMILES CCCCCCCCCC[C@@H]([C@@H]1O[C@H](CC1)[C@H]1CC[C@@H](O1)[C@@H](CCCCC(=O)CCCCCCCC1=C[C@@H](OC1=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona aff. spraguei Ref.
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OrganismAnnona aff. spraguei
ReferenceZafra-Polo,Phytochem.,48,(1998),1087