input word = C00019764

Metabolite InformationStructural formula
Name 12-Acetoxycalanolide A
Formula C24H28O6
Mw 412.18858863
CAS RN 860780-38-7
C_ID C00019764 ,
InChIKey UVGXEFBQPYOCKP-JNWWDLBDNA-N
InChICode InChI=1S/C24H28O6/c1-7-8-15-11-17(26)29-23-18(15)22-16(9-10-24(5,6)30-22)21-19(23)20(28-14(4)25)12(2)13(3)27-21/h9-13,20H,7-8H2,1-6H3/t12-,13-,20+/m1/s1
SMILES O1[C@@H]([C@H]([C@@H](c2c1c1c(c3c2oc(=O)cc3CCC)OC(C=C1)(C)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum lanigerum Ref.
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