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Summary Geometry Related PDB entries

Q0O

Summary

Name:	(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Formula:	C19 H14 O3
Formal charge:	0
Formula weight:	290.313 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
OpenEye OEToolkits	2.0.7	(2~{S})-2-(fluoren-9-ylidenemethyl)-4-oxidanyl-2,3-dihydropyran-6-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=C(O)CC(/C=C2\c3ccccc3c3ccccc23)O1
InChI	InChI	1.06	InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1
InChIKey	InChI	1.06	ZCHUYZRQWDZXJO-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	OC1=CC(=O)O[C@@H](C1)C=C2c3ccccc3c4ccccc24
SMILES	CACTVS	3.385	OC1=CC(=O)O[CH](C1)C=C2c3ccccc3c4ccccc24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)-c3ccccc3C2=C[C@@H]4CC(=CC(=O)O4)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)-c3ccccc3C2=CC4CC(=CC(=O)O4)O

222415

數據於2024-07-10公開中

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