input word = C00037750

Metabolite InformationStructural formula
Name Rosthorin A
3-Deoxyxerophilusin IX
Formula C20H28O6
Mw 364.18858863
CAS RN 93772-27-1
C_ID C00037750 ,
InChIKey AOUAZUQTHDBROH-NIOAIVQUNA-N
InChICode InChI=1S/C20H28O6/c1-9-10-7-11(21)12-18-6-4-5-17(2,3)13(18)16(24)20(25,26-8-18)19(12,14(9)22)15(10)23/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11+,12+,13-,15+,16+,18-,19-,20-/m1/s1
SMILES C1CC([C@@H]2[C@@]3(C1)[C@H]1[C@@]4([C@]([C@H]2O)(O)OC3)C(=O)C(=C)[C@@H](C[C@@H]1O)[C@@H]4O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rosthornii Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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