input word = C00044299

Metabolite InformationStructural formula
Name Rollinacin
Formula C35H62O7
Mw 594.44955433
CAS RN 193481-72-0
C_ID C00044299 ,
InChIKey AAJKTJJGBYWRHK-PDHMHMEANA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32-21-22-34(42-32)33-20-19-30(41-33)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)40-35(27)39/h23,26,28-34,36-38H,3-22,24-25H2,1-2H3/t26-,28+,29-,30-,31-,32-,33+,34+/m0/s1
SMILES CCCCCCCCCCCC[C@H](O)[C@H]1O[C@H](CC1)[C@@H]1O[C@@H](CC1)C[C@@H](O)CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeRollinia mucosa Ref.
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OrganismRollinia mucosa
ReferenceZafra-Polo,Phytochem.,48,(1998),1087