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 CCO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]4(O)CO)O[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeClerodendron brachyanthum Ref.
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OrganismClerodendron brachyanthum
ReferenceLin,Heterocycles,29,(1989),1489