input word = C00036098

Metabolite InformationStructural formula
Name Cornutin D
(-)-Cornutin D
Formula C22H32O7
Mw 408.21480338
CAS RN 630102-40-8
C_ID C00036098 ,
InChIKey MPQCIPBEPVDIRY-RTFFDNPRNA-N
InChICode InChI=1S/C22H32O7/c1-12-7-17(25)21(4)19(20(12,3)9-15(24)14-5-6-27-10-14)16(29-13(2)23)8-18(26)22(21)11-28-22/h5-6,10,12,15-19,24-26H,7-9,11H2,1-4H3/t12-,15+,16-,17+,18+,19-,20+,21-,22-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@H](O)[C@]2(CO2)[C@@]2(C)[C@H]1[C@@](C)(C[C@H](O)c1ccoc1)[C@H](C)C[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCornutia grandifolia var.intermedia Ref.
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