input word = C00021268

Metabolite InformationStructural formula
Name Plagiochilin A
Formula C19H26O6
Mw 350.17293856
CAS RN 67779-73-1
C_ID C00021268 ,
InChIKey PJNBMVOSONBSAO-SGZAWTJFNA-N
InChICode InChI=1S/C19H26O6/c1-10(20)22-7-12-8-23-17(25-11(2)21)16-14(12)15-13(18(15,3)4)5-6-19(16)9-24-19/h8,13-17H,5-7,9H2,1-4H3/t13-,14+,15-,16-,17+,19+/m0/s1
SMILES CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlagiochilaceaePlagiochila yokogurensis Ref.
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