input word = C00044301

Metabolite InformationStructural formula
Name Rollinone
(+)-Rollinone
Formula C37H66O7
Mw 622.48085446
CAS RN 92594-03-1
C_ID C00044301 ,
InChIKey KGGVWMAPBXIMEM-UHFFFAOYNA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30+,31+,32+,33+,34-,35-,36-/m1/s1
SMILES CCCCCCCCCC[C@H](O)[C@H]1O[C@H](CC1)[C@@H]1O[C@H](CC1)[C@@H](O)CCCCCCCCCC[C@H]1C[C@H](C(=O)O1)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeRollinia papilionella Ref.
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