input word = C00056093

Metabolite InformationStructural formula
Name Pubinernoid A
Formula C11H16O3
Mw 196.10994438
CAS RN 908563-61-1
C_ID C00056093
InChIKey VMQAMBIFNUSHAN-WRWORJQWSA-N
InChICode InChI=1S/C11H16O3/c1-10(2)5-7-6-11(3,13)8(12)4-9(10)14-7/h4,7,13H,5-6H2,1-3H3/t7-,11+/m0/s1
SMILES CC1(C)C[C@H]2C[C@@](C)(O)C(=O)C=C1O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
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OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.