Summary

IMPPAT Phytochemical identifier: IMPHY004805

Phytochemical name: Norwedelic acid

Synonymous chemical names:
norwedelic acid

External chemical identifiers:
CID:44260115

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Chemical structure information

SMILES:
Oc1cc(O)c(c(c1)O)c1oc2c(c1C(=O)O)cc(c(c2)O)O

InChI:
InChI=1S/C15H10O8/c16-5-1-9(19)13(10(20)2-5)14-12(15(21)22)6-3-7(17)8(18)4-11(6)23-14/h1-4,16-20H,(H,21,22)

InChIKey:
OYMZVRJQIIYPTP-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)O))coccc5C=O)O)))cccc6)O))O

Functional groups:
cC(=O)O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3ccccc3o2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans, Coumestan

NP-Likeness score: 1.007

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Chemical structure download