input word = C00038020

Metabolite InformationStructural formula
Name Xerophilusin A
(-)-Xerophilusin A
Formula C22H28O7
Mw 404.18350325
CAS RN 272459-37-7
C_ID C00038020 ,
InChIKey AFBNZCDGSSSCST-AULXWVRCNA-N
InChICode InChI=1S/C22H28O7/c1-9-11-8-12(27-10(2)23)13-20-7-5-6-19(3,4)14(20)16(25)22(26)21(13,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12-,13-,14+,16-,17-,18-,20+,21-,22+/m0/s1
SMILES [C@@H]12[C@]34[C@]5([C@H]([C@@H]6C(CCC[C@]6([C@@H]3[C@H](C[C@H]1C(=C)C4=O)OC(=O)C)[C@H](O5)O2)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLabiataeIsodon xerophylus Ref.
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