input word = C00038399

Metabolite InformationStructural formula
Name Alboatisin B
(-)-Alboatisin B
Formula C20H28O5
Mw 348.193674
CAS RN 943232-49-3
C_ID C00038399 ,
InChIKey NAJAPJJKLLFJJT-VTEXGNLZNA-N
InChICode InChI=1S/C20H28O5/c1-10-11-7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(22)20(13,16(10)24)17(25)15(11)23/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@@]23[C@H](O)C[C@H]4[C@@](C)(CCC[C@]4(C)C=O)[C@@H]2C[C@@H]1[C@H](O)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon albopilosus Ref.
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