input word = C00039734

Metabolite InformationStructural formula
Name Maoecrystal I
Formula C22H30O8
Mw 422.19406794
CAS RN 121817-30-9
C_ID C00039734 ,
InChIKey HMWUNMFAGJJPBJ-GNRQOMSENA-N
InChICode InChI=1S/C22H30O8/c1-10-12-4-5-13-20-9-30-22(28,21(13,7-12)17(10)26)18(27)16(20)19(3,8-29-11(2)23)14(24)6-15(20)25/h12-16,18,24-25,27-28H,1,4-9H2,2-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21+,22-/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](O)C[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLamiaceaeRabdosia eriocalyx Ref.
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OrganismIsodon xerophilus
ReferenceLi,J.Nat.Prod.,70,(2007),1295