Summary

Molecular formula: C13H12O5
SMILES: Oc1ccc2c(c1)C(=O)[C@@H]1[C@H](O2)CC[C@H]1C(=O)O
InChI: InChI=1S/C13H12O5/c14-6-1-3-9-8(5-6)12(15)11-7(13(16)17)2-4-10(11)18-9/h1,3,5,7,10-11,14H,2,4H2,(H,16,17)/t7-,10-,11+/m1/s1
InChIKey: UBUDHORULOYWEA-ONOSFVFSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OC2CCCC12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC21

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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:
(-)-applanatumol x

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External chemical identifiers:
CID_139585810; NPATLAS_NPA009800; CHEMSPIDER_78441098

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Chemical structure download