input word = C00044060

Metabolite InformationStructural formula
Name 4-Deoxycoriacin
(+)-4-Deoxycoriacin
Formula C37H66O6
Mw 606.48593984
CAS RN 181221-77-2
C_ID C00044060 ,
InChIKey DRGQUZHGHUOBPW-ZBCMQTGVNA-N
InChICode InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-14-19-24-33(38)34(39)25-20-15-16-21-26-35(40)36-28-27-32(43-36)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h15-16,29-30,32-36,38-40H,3-14,17-28H2,1-2H3/b16-15-/t30-,32-,33+,34-,35+,36+/m0/s1
SMILES O1[C@H](C=C(C1=O)CCCCCCC[C@H]1CC[C@@H](O1)[C@H](O)CC/C=C\CC[C@@H]([C@@H](CCCCCCCCCCCC)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona coriacea Ref.
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OrganismAnnona coriacea
ReferenceZafra-Polo,Phytochem.,48,(1998),1087