input word = C00057357

Metabolite InformationStructural formula
Name 7-Oxootobain
Formula C20H18O5
Mw 338.11542369
CAS RN 34426-79-4
C_ID C00057357
InChIKey ZTOORMQTJNUZOQ-CZIZLABSSA-N
InChICode InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m1/s1
SMILES C[C@@H]1[C@@H](C)C(C(C=CC2=C3OCO2)=C3[C@@]1([H])C4=CC5=C(OCO5)C=C4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyristicaceaeMyristica fragrans Ref.
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OrganismMyristica fragrans
ReferenceGilchrist, T. et al., JCS, 1962, 1780 (isol)