input word = C00051403

Metabolite InformationStructural formula
Name Macrocalyxoformin D
Formula C20H28O5
Mw 348.193674
CAS RN 97344-27-9
C_ID C00051403
InChIKey IESLWBVKXPGPQJ-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O5/c1-12-13-4-5-14-19(7-3-6-18(2,10-22)15(19)9-21)11-25-17(24)20(14,8-13)16(12)23/h13-15,21-22H,1,3-11H2,2H3
SMILES C=C1C(=O)C23CC1CCC2C1(CCCC(C)(CO)C1CO)COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon macrocalyx Ref.
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OrganismIsodon macrocalyx
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)