input word = C00044204

Metabolite InformationStructural formula
Name Isorollinicin
Formula C37H66O7
Mw 622.48085446
CAS RN 93236-32-9
C_ID C00044204 ,
InChIKey DAEFUOXKPZLQMM-UHFFFAOYNA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31-,32+,33-,34+,35+,36-/m1/s1
SMILES C([C@@H](O)CCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](OC1=O)C)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeRollinia papilionella Ref.
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OrganismRollinia papilionella
ReferenceZafra-Polo,Phytochem.,48,(1998),1087