input word = C00040687

Metabolite InformationStructural formula
Name Xerophilusin IV
(-)-Xerophilusin IV
Formula C20H28O6
Mw 364.18858863
CAS RN 950181-59-6
C_ID C00040687 ,
InChIKey HSNHHKCWUXSXSA-YMLOSQMENA-N
InChICode InChI=1S/C20H28O6/c1-10-11-4-5-12-18-7-3-6-17(2,8-21)13(18)16(24)20(25,26-9-18)19(12,14(10)22)15(11)23/h11-13,15-16,21,23-25H,1,3-9H2,2H3/t11-,12-,13+,15-,16-,17-,18?,19-,20?/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2
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