input word = C00051248

Metabolite InformationStructural formula
Name Leucophyllin A
Formula C26H34O10
Mw 506.21519731
CAS RN 208252-70-4
C_ID C00051248
InChIKey VVVLPJCUYPMMIT-MIBHGDTANA-N
InChICode InChI=1S/C26H34O10/c1-12-16-8-17(35-14(3)28)19-24-11-34-26(32,25(19,9-16)21(12)30)22(31)20(24)23(5,10-33-13(2)27)7-6-18(24)36-15(4)29/h16-20,22,31-32H,1,6-11H2,2-5H3/t16-,17-,18+,19+,20-,22?,23+,24+,25+,26-/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon leucophyllus Ref.
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