input word = C00010216

Metabolite InformationStructural formula
Name Tomentolide A
Formula C25H22O5
Mw 402.14672381
CAS RN 22562-07-8
C_ID C00010216 ,
InChIKey JCKXVEVCXNXGQW-DUXBJXIBNA-N
InChICode InChI=1S/C25H22O5/c1-13-14(2)28-24-19-17(15-8-6-5-7-9-15)12-18(26)29-22(19)16-10-11-25(3,4)30-23(16)20(24)21(13)27/h5-14H,1-4H3/t13-,14+/m1/s1
SMILES c12c(c3c(c(cc(=O)o3)c3ccccc3)c3c1C(=O)[C@@H]([C@H](C)O3)C)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum tomentosum Ref.
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