input word = C00007893

Metabolite InformationStructural formula
Name Marein
Formula C21H22O11
Mw 450.11621155
CAS RN 535-96-6
C_ID C00007893 ,
InChIKey XGEYXJDOVMEJNG-YHXBCAFRNA-N
InChICode InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaeria chrysostoma Ref.
PlantaeAsteraceaeBidens pilosa Ref.
PlantaeAsteraceaeCoreopsis gigantea Ref.
PlantaeAsteraceaeCoreopsis maritima Ref.
PlantaeAsteraceaeCoreopsis martema Ref.
PlantaeAsteraceaeCoreopsis neucensis Ref.
PlantaeAsteraceaeCoreopsis tinctoria Ref.
PlantaeAsteraceaeSimsia ghiesbreghtii Ref.
PlantaeAsteraceaeThelesperma megapotamicum Ref.
PlantaeAsteraceaeViguiera dentata Ref.
PlantaeAsteraceaeZinnia linearis Ref.
PlantaePinaceaeAbies pindrow Ref.
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OrganismCoreopsis martema
ReferenceHarborne,J.Am.Chem.Soc.,78,(1956),829