input word = C00044300

Metabolite InformationStructural formula
Name Rolliniastatin 1
Formula C37H66O7
Mw 622.48085446
CAS RN 111056-97-4
C_ID C00044300 ,
InChIKey MBABCNBNDNGODA-GHDXCLBZNA-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(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35-,36-/m0/s1
SMILES CCCCCCCCCC[C@H](O)[C@@H]1O[C@@H](CC1)[C@H]1O[C@H](CC1)[C@@H](CCCCCCCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimolia Ref.
PlantaeAnnonaceaeAnnona reticulata Ref.
PlantaeAnnonaceaeRollinia mucosa Ref.
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OrganismAnnona cherimolia
ReferenceChen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).

Barrachina, et al., Planta Med, 70, (2004), 866