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=C1C(=O)[C@]23C(O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1C(=O)[C@]3(O)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLabiataeIsodon xerophylus Ref.
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