input word = C00050249

Metabolite InformationStructural formula
Name Teumassilenin D
Formula C24H30O9
Mw 462.18898256
CAS RN 213483-23-9
C_ID C00050249 ,
InChIKey HUPBOJIWABTVPP-CNZUFKFTNA-N
InChICode InChI=1S/C24H30O9/c1-13-6-20(32-15(3)26)24(12-30-14(2)25)19(7-17(27)8-22(24)11-31-22)23(13)9-18(33-21(23)28)16-4-5-29-10-16/h4-5,10,13,17-20,27H,6-9,11-12H2,1-3H3/t13-,17+,18-,19-,20+,22+,23-,24+/m1/s1
SMILES [C@H]1(C[C@@]2([C@]3([C@H](C1)[C@]1([C@@H](C[C@@H]3OC(=O)C)C)C[C@@H](OC1=O)c1cocc1)COC(=O)C)CO2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium massiliense Ref.
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OrganismTeucrium massiliense
ReferenceFontana,J.Nat.Prod.,61,(1998),1242