input word = C00023522

Metabolite InformationStructural formula
Name Clerodiol
Formula C26H42O9
Mw 498.28288294
CAS RN 124693-69-2
C_ID C00023522 ,
InChIKey SNBKLZSUDKLRJT-VUWHVVSTNA-N
InChICode InChI=1S/C26H42O9/c1-6-31-22-12-18-11-20(34-23(18)35-22)24(5)15(2)10-21(33-17(4)29)26(14-32-16(3)28)19(24)8-7-9-25(26,30)13-27/h15,18-23,27,30H,6-14H2,1-5H3/t15-,18+,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1
SMILES C1C[C@]([C@]2([C@H](C1)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)[C@@H]1C[C@@H]2[C@H](O1)O[C@H](C2)OCC)COC(=O)C)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeClerodendron brachyanthum Ref.
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