input word = C00040695

Metabolite InformationStructural formula
Name Xerophilusin XI
(-)-Xerophilusin XI
Formula C23H34O8
Mw 438.22536806
CAS RN 950181-69-8
C_ID C00040695 ,
InChIKey GRMLBPAIEMVEHI-HASUWHHFNA-N
InChICode InChI=1S/C23H34O8/c1-11(24)31-14-8-12-13(9-29-4)18(26)22(17(12)25)15(14)21-7-5-6-20(2,3)16(21)19(27)23(22,28)30-10-21/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13-,14-,15-,16+,17+,19-,21+,22+,23+/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@@H](C1=O)COC)[C@H]4O)OC(=O)C)(O)OC3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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OrganismIsodon xerophilus
ReferenceLi,J.Nat.Prod.,70,(2007),1295