input word = C00003019

Metabolite InformationStructural formula
Name Tremulacin
Formula C27H28O11
Mw 528.16316174
CAS RN 29836-40-6
C_ID C00003019 ,
InChIKey RCKCYCDBDYUIGM-WXUCKVSENA-N
InChICode InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)Oc1c(cccc1)COC(=O)[C@@]1(C=CCCC1=O)O)OC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeDovyalis hebecarpa Ref.
PlantaeFlacourtiaceaeHomalium cochinchinensis Ref.
PlantaeFlacourtiaceaeItoa orientalis Ref.
PlantaeSalicaceaePopulus alba Ref.
PlantaeSalicaceaePopulus davidiana Ref.
PlantaeSalicaceaePopulus deltoides Ref.
PlantaeSalicaceaePopulus heterophylla Ref.
PlantaeSalicaceaePopulus tremua Ref.
PlantaeSalicaceaePopulus tremula Ref.
PlantaeSalicaceaePopulus tremuloides Ref.
PlantaeSalicaceaePopulus trichocarpa Ref.
PlantaeSalicaceaeSalix chaenomoides Ref.
PlantaeSalicaceaeSalix daphnoides Ref.
PlantaeSalicaceaeSalix petiolaris Ref.
PlantaeSalicaceaeSalix purpurea Ref.
PlantaeSalicaceaeSalix triandra Ref.
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