Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015577

Phytochemical name: Norrubrofusarin

Synonymous chemical names:
norrubrofusarin, Norrubrofusarin, nor-rubrofusarin

External chemical identifiers:
CID:CID_135453893, Molport-051-822-560

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Chemical structure information

SMILES:
O=c1cc(O)c2c(c1)cc1c(c2O)c(O)cc(o1)C

InChI:
InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,16-18H,1H3

InChIKey:
ZJCMSTGEFBOMJO-UHFFFAOYSA-N

DeepSMILES:
O=cccO)ccc6)cccc6O))cO)cco6)C

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2cc3cccoc3cc2c1

Scaffold Graph/Node level:
OC1CCC2CC3CCCOC3CC2C1

Scaffold Graph level:
CC1CCC2CC3CCCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 1.403

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Chemical structure download