input word = C00040684

Metabolite InformationStructural formula
Name Xerophilusin F
(+)-Xerophilusin F
Formula C22H28O7
Mw 404.18350325
CAS RN 303094-80-6
C_ID C00040684 ,
InChIKey MOEKVDYJSLTUSU-BXGQUMOENA-N
InChICode InChI=1S/C22H28O7/c1-9-11-8-12(29-10(2)23)13-20-7-5-6-19(3,4)14(20)17(26)22(28,18(20)27)21(13,15(9)24)16(11)25/h11-14,16,18,25,27-28H,1,5-8H2,2-4H3/t11-,12-,13-,14+,16+,18+,20+,21-,22+/m0/s1
SMILES [C@@H]1([C@]23[C@@]4([C@@H]([C@@]5([C@@H](C(CCC5)(C)C)C4=O)[C@@H]2[C@H](C[C@H]1C(=C)C3=O)OC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLabiataeIsodon xerophylus Ref.
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