MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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phenolphthalein

	Properties	Image
MNX_ID	MNXM74930
reference	chebi:34914
formula	C₂₀H₁₄O₄
global charge	0
mol weight	318.328
InChIKey	KJFMBFZCATUALV-UHFFFAOYSA-N
InChI	InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
SMILES	O=C1OC(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)C2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:18]2[C:17](=[CH:3]1)[C:19](=[O:23])[O:24][C:20]2([C:13]1=[CH:6][CH:10]=[C:15]([OH:21])[CH:9]=[CH:5]1)[C:14]1=[CH:8][CH:12]=[C:16]([OH:22])[CH:11]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34914 chebi:34914 KJFMBFZCATUALV-UHFFFAOYSA-N	phenolphthalein 3,3-Bis(4-hydroxyphenyl)phthalide Phenolphthalein euchessina phthalimetten phthalin
kegg.drug:D05456 keggD:D05456 KJFMBFZCATUALV-UHFFFAOYSA-N	Phenolphthalein (INN) Modane (TN)
seed.compound:cpd09985 seedM:cpd09985 sabiork.compound:21545 sabiorkM:21545 kegg.compound:C14286 keggC:C14286 KJFMBFZCATUALV-UHFFFAOYSA-N	Phenolphthalein 3,3-Bis(4-hydroxyphenyl)phthalide
hmdb:HMDB0256412 KJFMBFZCATUALV-UHFFFAOYSA-N	Phenolphthalein 3,3-Bis(4-hydroxyphenyl)phthalide 3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one Ap-la-day Ex-lax Feen-a-mint Key brand OF phenolphthalein Laxatone Laxettes Mentholatum brand OF phenolphthalein Modane Novartis brand OF phenolphthalein Schering-plough brand OF phenolphthalein Thalinol Thompson brand OF phenolphthalein manesco Brand OF phenolphthalein phenolphthalein
keggC:M_C14286 keggD:M_D05456 seedM:M_cpd09985	secondary/obsolete/fantasy identifier