input word = C00042216

Metabolite InformationStructural formula
Name Albopilosin J
(-)-Albopilosin J
Formula C26H42O10
Mw 514.27779756
CAS RN 871566-45-9
C_ID C00042216 ,
InChIKey JQJBEHOGHZETSG-NEBPWXQPNA-N
InChICode InChI=1S/C26H42O10/c1-11-17-12(28)7-15-25(3)6-4-5-24(2,14(25)8-16(29)26(15,21(11)33)22(17)34)10-35-23-20(32)19(31)18(30)13(9-27)36-23/h11-20,22-23,27-32,34H,4-10H2,1-3H3/t11-,12+,13-,14-,15+,16-,17-,18+,19+,20-,22-,23-,24-,25-,26+/m1/s1
SMILES C[C@H]1C(=O)[C@]23C(O)[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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