input word = C00042207

Metabolite InformationStructural formula
Name Albopilosin A
Formula C22H32O6
Mw 392.21988875
CAS RN 151041-65-5
C_ID C00042207 ,
InChIKey YUDAQISMJIMAFL-DGYAJZJYNA-N
InChICode InChI=1S/C22H32O6/c1-11-17-13(24)8-15-21(4)7-5-6-20(3,10-28-12(2)23)14(21)9-16(25)22(15,18(11)26)19(17)27/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17+,19+,20+,21+,22-/m0/s1
SMILES [C@@H]1([C@@]23[C@@H](C[C@@H]([C@H]1C(=C)C3=O)O)[C@]1([C@H](C[C@H]2O)[C@](CCC1)(COC(=O)C)C)C)O
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