input word = C00056992

Metabolite InformationStructural formula
Name Officinin A
Formula C35H32O8
Mw 580.209718
CAS RN 1258000-65-5
C_ID C00056992
InChIKey OADMZXAQYITXGJ-XMMPIXPASA-N
InChICode InChI=1S/C35H32O8/c1-42-29-18-22(14-17-26(29)37)12-15-24(19-25(36)16-13-21-8-4-2-5-9-21)30-27(38)20-28(39)31-32(40)33(41)34(43-35(30)31)23-10-6-3-7-11-23/h2-11,14,17-18,20,24,37-39,41H,12-13,15-16,19H2,1H3/t24-/m1/s1
SMILES OC1=C(C2=CC=CC=C2)OC3=C(C1=O)C(O)=CC(O)=C3[C@H](CCC4=CC=C(O)C(OC)=C4)CC(CCC5=CC=CC=C5)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia officinarum Ref.
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OrganismAlpinia officinarum
ReferenceZhao, L. et al., Chin. Chem. Lett., 2010, 21, 194-196 (Officinin A)