input word = C00018707

Metabolite InformationStructural formula
Name Dihydroenmein
Dihydro-enmein
Formula C20H28O6
Mw 364.18858863
CAS RN 14237-76-4
C_ID C00018707 ,
InChIKey XDIFXKVLMXAILB-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h9-14,16,21,23H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,14-,16-,19-,20+/m0/s1
SMILES C1[C@@H]2C[C@]3([C@@H](C1)[C@]14[C@H](OC3=O)C[C@@H](C([C@@H]1[C@H](OC4)O)(C)C)O)C(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon trichocarpus Ref.
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