input word = C00023520

Metabolite InformationStructural formula
Name Clerodinin C
Formula C26H40O8
Mw 480.27231825
CAS RN 124753-87-3
C_ID C00023520 ,
InChIKey NNGXCYCJTUSCQE-VUWHVVSTNA-N
InChICode InChI=1S/C26H40O8/c1-6-29-22-12-18-11-20(33-23(18)34-22)24(5)15(2)10-21(32-17(4)28)26(14-30-16(3)27)19(24)8-7-9-25(26)13-31-25/h15,18-23H,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@]43CO3)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