input word = C00042716

Metabolite InformationStructural formula
Name Macrocalyxin C
(-)-Amethystonal
Formula C20H28O5
Mw 348.193674
CAS RN 91379-75-8
C_ID C00042716 ,
InChIKey STHPHTFJMBGODJ-YPTQIFQDNA-N
InChICode InChI=1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15+,17+,18+,19+,20-/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon albopilosus Ref.
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OrganismIsodon albopilosus
ReferenceHuang,J.Nat.Prod.,68,(2005),1758