input word = C00032525

Metabolite InformationStructural formula
Name Xindongnin J
Formula C20H28O5
Mw 348.193674
CAS RN 97230-60-9
C_ID C00032525 ,
InChIKey DDRVUIANJNYFMM-UFAJIAMJNA-N
InChICode InChI=1S/C20H28O5/c1-9-10-7-11(21)14-19(4)6-5-12(22)18(2,3)15(19)13(23)17(25)20(14,8-10)16(9)24/h10-12,14-15,17,21-22,25H,1,5-8H2,2-4H3/t10-,11+,12+,14+,15-,17-,19+,20+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@@H](C2=O)O)C[C@@H](C[C@@H]1O)C(=C)C3=O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var. rubescens Ref.
PlantaeLamiaceaeRabdosia rubescens Ref.
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OrganismRabdosia rubescens
ReferenceHAN, et al., Chem Pharm Bull, 52, (2004), 767