input word = C00014571

Metabolite InformationStructural formula
Name Deoxycalyxin A
Formula C35H34O8
Mw 582.22536806
CAS RN 332396-25-5
C_ID C00014571 ,
InChIKey QFJRXXRSLNGSSQ-QEVMZSNPNA-N
InChICode InChI=1S/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)19-10-24-7-16-28(38)17-8-24)25(11-2-22-3-12-26(36)13-4-22)20-29(39)18-9-23-5-14-27(37)15-6-23/h2-8,10-17,19,21,25,29,36-39,41-42H,9,18,20H2,1H3/b11-2+,19-10+/t25-,29-/m0/s1
SMILES c1c(ccc(c1)/C=C/C(=O)c1c(c(c(cc1OC)O)[C@@H](/C=C/c1ccc(cc1)O)C[C@H](CCc1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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OrganismAlpinia blepharocalyx
ReferenceTezuka, J.Nat.Prod.,64,(2001),208