input word = C00044112

Metabolite InformationStructural formula
Name Bullacin
Formula C35H62O7
Mw 594.44955433
CAS RN 152340-16-4
C_ID C00044112 ,
InChIKey ASYREAFJWYXEIU-XPTMOGETNA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-14-11-10-12-17-28(36)18-15-16-27-25-26(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 CCCCCCCCCC[C@@H](O)[C@@H]1O[C@H](CC1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC[C@@H](CCCC1=C[C@@H](OC1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona bullata Ref.
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