input word = C00044202

Metabolite InformationStructural formula
Name Isomolvizarin 1
Formula C35H62O7
Mw 594.44955433
CAS RN 161169-72-8
C_ID C00044202 ,
InChIKey XNEFYQGSRCIPKN-UHFFFAOYNA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3/t27-,28+,29+,30+,31+,32+,33-,34+/m0/s1
SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC[C@@H]1C[C@@H](C(=O)O1)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimolia Ref.
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OrganismAnnona cherimolia
ReferenceZafra-Polo,Phytochem.,48,(1998),1087