Summary

Molecular formula: C18H14O5
SMILES: Oc1c2C=CC(Oc2cc2c1c(=O)c1c(o2)c(O)ccc1)(C)C
InChI: InChI=1S/C18H14O5/c1-18(2)7-6-9-12(23-18)8-13-14(15(9)20)16(21)10-4-3-5-11(19)17(10)22-13/h3-8,19-20H,1-2H3
InChIKey: NHNIESSJWQBRJW-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:
6-deoxyjacareubin

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External chemical identifiers:
CID_5281629; CAS_16265-56-8; CHEMSPIDER_4444948; ZINC_ZINC000005762059

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Chemical structure download