input word = C00038023

Metabolite InformationStructural formula
Name Xerophilusin J
(-)-Xerophilusin J
Formula C22H30O8
Mw 422.19406794
CAS RN 382594-64-1
C_ID C00038023 ,
InChIKey WASCTSNYBVCLTC-XYRXUHEDNA-N
InChICode InChI=1S/C22H30O8/c1-9-11-5-6-12-20-13(29-10(2)23)7-8-19(3,4)14(20)17(26)22(28,30-18(20)27)21(12,15(9)24)16(11)25/h11-14,16-18,25-28H,1,5-8H2,2-4H3/t11-,12-,13-,14+,16-,17-,18+,20-,21-,22+/m0/s1
SMILES [C@H]1([C@]23[C@@H](C(CC1)(C)C)[C@@H]([C@]([C@@]14[C@H]2CC[C@@H](C(=C)C1=O)[C@@H]4O)(O[C@H]3O)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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