input word = C00033773

Metabolite InformationStructural formula
Name Dicerandrol A
(-)-Dicerandrol A
Formula C34H34O14
Mw 666.1948558
CAS RN 361445-53-6
C_ID C00033773 ,
InChIKey LMADRJRTQXNOEP-CXOGNMJCNA-N
InChICode InChI=1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,39-42H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1
SMILES C12=C(C[C@H]([C@H]([C@]1(Oc1c(C2=O)c(c(cc1)c1ccc2O[C@]3(C(=C(C[C@H]([C@H]3OC(=O)C)C)O)C(=O)c2c1O)CO)O)CO)OC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis longicolla Ref.
FungiValsaceaePhomopsis sp. PSU-D15 Ref.
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OrganismPhomopsis longicolla
ReferenceRezanka,J.Nat.Prod.,70,(2007),1487