input word = C00003411

Metabolite InformationStructural formula
Name Caryoptin
Formula C26H36O9
Mw 492.23593275
CAS RN 50645-63-1
C_ID C00003411 ,
InChIKey QVORLEZTALRJNW-DJZLFFEZNA-N
InChICode InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1
SMILES [C@]1([C@@H]2[C@@]([C@H](C[C@H]1C)OC(=O)C)([C@]1([C@@H](CC2)OC(=O)C)CO1)COC(=O)C)(C)[C@@H]1C[C@@H]2[C@@H](O1)OC=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCaryopteris divaricata Ref.
PlantaeLabiataeCaryopteris divericata Ref.
PlantaeVerbenaceaeClerodendron calamitosum Ref.
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OrganismClerodendron calamitosum
ReferenceHosozawa,Phytochem.,308,(1974),1019