Summary

IMPPAT Phytochemical identifier: IMPHY015173

Phytochemical name: 1,6-Dioxaspiro[4,4]nona-2,8-diene, 7-(2,4)-hexadiynylidene

Synonymous chemical names:
1,6-dioxaspiro[4,4]nona-2,8-diene,7[2,4]hexadiynylidene

External chemical identifiers:
CID:5352483

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Chemical structure information

SMILES:
C/C=C/C=C/C=C1/C=CC2(O1)CC=CO2

InChI:
InChI=1S/C13H14O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-8,10-11H,9H2,1H3/b3-2+,5-4+,12-7-

InChIKey:
MDHFLFFAHKTMIR-UAJIGUHOSA-N

DeepSMILES:
C/C=C/C=C/C=C/C=CCO/5)CC=CO5

Functional groups:
C/C=C/C=C/C=C1/C=CC2(CC=CO2)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC2(CC=CO2)O1

Scaffold Graph/Node level:
CC1CCC2(CCCO2)O1

Scaffold Graph level:
CC1CCC2(CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: 2-pyrone derivatives

NP-Likeness score: 2.776

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Chemical structure download