input word = C00019947

Metabolite InformationStructural formula
Name 12-Methoxycalanolide B
Formula C23H28O5
Mw 384.193674
CAS RN 142632-34-6
C_ID C00019947 ,
InChIKey KEWWSURXGADRPV-YRZZMXELNA-N
InChICode InChI=1S/C23H28O5/c1-7-8-14-11-16(24)27-22-17(14)21-15(9-10-23(4,5)28-21)20-18(22)19(25-6)12(2)13(3)26-20/h9-13,19H,7-8H2,1-6H3/t12-,13-,19-/m1/s1
SMILES O1[C@@H]([C@H]([C@H](c2c1c1c(c3c2oc(=O)cc3CCC)OC(C=C1)(C)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum lanigerum Ref.
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