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 CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CC[C@@H](OC(C)=O)[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCaryopteris divaricata Ref.
PlantaeLabiataeCaryopteris divericata Ref.
PlantaeVerbenaceaeClerodendron calamitosum Ref.
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OrganismCaryopteris divaricata
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52