input word = C00023531

Metabolite InformationStructural formula
Name 12-Epiteupolin II
Formula C22H28O7
Mw 404.18350325
CAS RN 113625-94-8
C_ID C00023531 ,
InChIKey VBPDFHXDMUNMDH-JTKMKKPZNA-N
InChICode InChI=1S/C22H28O7/c1-13-8-18(28-14(2)24)22(11-23)17(4-3-6-20(22)12-27-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,23H,3-4,6,8-9,11-12H2,1-2H3/t13-,16-,17-,18+,20+,21-,22+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@]1([C@@H](C[C@@H]3OC(=O)C)C)C[C@@H](OC1=O)c1cocc1)CO)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium lamiifolium Ref.
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