input word = C00040694

Metabolite InformationStructural formula
Name Xerophilusin X
(+)-Xerophilusin X
Formula C24H34O8
Mw 450.22536806
CAS RN 950181-68-7
C_ID C00040694 ,
InChIKey MXUAEXLFUVYPMG-GMOXDRKKNA-N
InChICode InChI=1S/C24H34O8/c1-11-14-9-15(31-12(2)25)16-22-8-6-7-21(4,5)17(22)20(32-13(3)26)24(29,30-10-22)23(16,18(11)27)19(14)28/h14-20,27-29H,1,6-10H2,2-5H3/t14?,15-,16-,17+,18+,19+,20-,22-,23+,24+/m0/s1
SMILES C1[C@@]23[C@@H](C(CC1)(C)C)[C@@H]([C@@]([C@]14[C@H]2[C@H](C[C@@H](C(=C)[C@H]1O)[C@H]4O)OC(=O)C)(O)OC3)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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