input word = C00023453

Metabolite InformationStructural formula
Name ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Formula C22H36O6
Mw 396.25118888
CAS RN 128988-52-3
C_ID C00023453 ,
InChIKey WWBKEPMWUHTSAJ-SURNPVQONA-N
InChICode InChI=1S/C22H36O6/c1-14-8-9-17-16(7-6-10-21(17,4)19(25)26)20(14,3)11-12-22(5,27)18(13-23)28-15(2)24/h7,14,17-18,23,27H,6,8-13H2,1-5H3,(H,25,26)/t14-,17+,18-,20+,21+,22+/m1/s1
SMILES C1C[C@@]([C@@H]2C(=C1)[C@]([C@@H](CC2)C)(CC[C@]([C@@H](CO)OC(=O)C)(C)O)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeHalimium viscosum Ref.
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