input word = C00048102

Metabolite InformationStructural formula
Name Macrocalyxoformin A
Sculponeatin A
(-)-Sculponeatin A
Formula C20H26O5
Mw 346.17802394
CAS RN 85287-58-7
C_ID C00048102 ,
InChIKey QALWKTNRDDDECH-WVYBSHOJNA-N
InChICode InChI=1S/C20H26O5/c1-10-11-3-4-12-19(7-11,15(10)21)17(22)25-13-5-6-18(2)8-23-16-14(18)20(12,13)9-24-16/h11-16,21H,1,3-9H2,2H3/t11-,12-,13+,14-,15-,16+,18+,19+,20-/m1/s1
SMILES O1[C@@H]2[C@@]3([C@H]4[C@@]5(C1=O)C[C@@H](CC4)C(=C)[C@H]5O)[C@H]1[C@@](CC2)(CO[C@H]1OC3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon macrocalyx Ref.
PlantaeLabiataeIsodon sculponeata Ref.
PlantaeLabiataeIsodon sculponeatus Ref.
PlantaeLabiataePhlomis umbrosa Ref.
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OrganismIsodon macrocalyx
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)