Summary

Molecular formula: C18H14O6
SMILES: Oc1ccc2c(c1O)oc1c(c2=O)c(O)c2c(c1)OC(C=C2)(C)C
InChI: InChI=1S/C18H14O6/c1-18(2)6-5-8-11(24-18)7-12-13(14(8)20)15(21)9-3-4-10(19)16(22)17(9)23-12/h3-7,19-20,22H,1-2H3
InChIKey: UCLUVPCGXYTYEK-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3CC21

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Benzopyrans
Sub class: 1-benzopyrans

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Synonymous chemical names:
jacareubin

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External chemical identifiers:
CID_5281644; CAS_3811-29-8; CHEMSPIDER_4444963

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Chemical structure download