input word = C00045067

Metabolite InformationStructural formula
Name Sculponeatin J
(-)-Sculponeatin J
Formula C20H24O5
Mw 344.16237388
CAS RN 477529-69-4
C_ID C00045067 ,
InChIKey VGHUWBCJSRMGIQ-KDSKZMLUNA-N
InChICode InChI=1S/C20H24O5/c1-10-11-3-4-12-19(7-11,15(10)21)17(22)24-9-20(12)13-5-6-18(2)8-23-16(25-13)14(18)20/h11-14,16H,1,3-9H2,2H3/t11-,12-,13+,14-,16-,18+,19+,20-/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H]2CC[C@@]3(C)CO[C@H](O2)[C@H]31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon pubescens var.lushiensis Ref.
PlantaeLabiataeIsodon rubescens var.lushiensis Ref.
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OrganismIsodon pubescens var.lushiensis
ReferenceHan, et al., JNP, 66, (2003), 1391