input word = C00040688

Metabolite InformationStructural formula
Name Xerophilusin IX
(-)-Xerophilusin IX
Formula C20H28O7
Mw 380.18350325
CAS RN 950181-65-4
C_ID C00040688 ,
InChIKey NZZUEFKKZKOFNX-KFKIOZNANA-N
InChICode InChI=1S/C20H28O7/c1-8-9-6-10(21)12-18-5-4-11(22)17(2,3)13(18)16(25)20(26,27-7-18)19(12,14(8)23)15(9)24/h9-13,15-16,21-22,24-26H,1,4-7H2,2-3H3/t9-,10-,11+,12-,13+,15+,16-,18+,19-,20+/m0/s1
SMILES C1[C@]23[C@@H](C([C@@H](C1)O)(C)C)[C@@H]([C@@]([C@@]14[C@H]2[C@H](C[C@@H](C(=C)C1=O)[C@H]4O)O)(O)OC3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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