input word = C00040686

Metabolite InformationStructural formula
Name Xerophilusin III
(-)-Xerophilusin III
Formula C20H28O7
Mw 380.18350325
CAS RN 950181-58-5
C_ID C00040686 ,
InChIKey FZOFIVYXNKRMRA-GSFZIOOQNA-N
InChICode InChI=1S/C20H28O7/c1-9-10-3-4-11-18-8-27-20(26,19(11,14(9)23)15(10)24)16(25)13(18)17(2,7-21)6-5-12(18)22/h10-13,15-16,21-22,24-26H,1,3-8H2,2H3/t10-,11-,12+,13+,15+,16-,17-,18+,19-,20+/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(CO)CC[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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