input word = C00038278

Metabolite InformationStructural formula
Name 4-Hydroxytremulacin
Formula C27H28O12
Mw 544.15807636
CAS RN 911697-91-1
C_ID C00038278 ,
InChIKey MDHRUEIHSUOCAT-WHMZOPJCNA-N
InChICode InChI=1S/C27H28O12/c28-13-19-21(31)22(32)23(39-24(33)15-6-2-1-3-7-15)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2/t19-,21-,22+,23-,25-,27-/m1/s1
SMILES c1cc(cc(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)c1ccccc1)O)O)CO)COC(=O)[C@]1(C=CCCC1=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeDovyalis hebecarpa Ref.
PlantaeFlacourtiaceaeItoa orientalis Ref.
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OrganismItoa orientalis
ReferenceChai,J.Nat.Prod.,71,(2008),814