input word = C00048966

Metabolite InformationStructural formula
Name cis-Isomurisolenin
Formula C34H60O6
Mw 564.43898965
CAS RN 208457-21-0
C_ID C00048966 ,
InChIKey BHKBAQOZVCASRP-DTQAZKPQNA-N
InChICode InChI=1S/C34H60O6/c1-3-4-5-6-7-8-12-15-18-21-30(36)32-23-24-33(40-32)31(37)22-19-16-13-10-9-11-14-17-20-29-26-28(25-27(2)35)34(38)39-29/h13,16,28-33,36-37H,3-12,14-15,17-26H2,1-2H3/b16-13+/t28-,29+,30-,31+,32-,33+/m0/s1
SMILES C1[C@H](OC(=O)[C@H]1CC(=O)C)CCCCCC/C=C\CC[C@H]([C@H]1CC[C@H](O1)[C@H](CCCCCCCCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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OrganismAnnona reticulata
ReferenceChang,Phytochem.,47,(1998),1057