Q63398962

chemical compound

Wikidata entity: Q63398962

C₄₄H₆₉NO₁₂ (P274)

Quantities

P2067mass803.481976648

P233 canonical SMILES String C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC ???
P3364 stereoisomer of ... Q108730784 (???) ???
P3364 stereoisomer of ... Q411648 (tacrolimus) tacrolimus
P3364 stereoisomer of ... Q27164938 (LSM-3557) LSM-3557
P3364 stereoisomer of ... Q27166498 (LSM-5735) LSM-5735
P279 subclass of ... Q27166960 (LSM-6436) LSM-6436
External Ids
P2057Human Metabolome Database IDHMDB0015002
P234InChIInChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
P235InChIKeyQJJXYPPXXYFBGM-LJIGMGMYSA-N
P6689MassBank accession IDMSBNK-Eawag-EQ280701
P6689MassBank accession IDMSBNK-Eawag-EQ280702
P6689MassBank accession IDMSBNK-Eawag-EQ280703
P6689MassBank accession IDMSBNK-Eawag-EQ280704
P6689MassBank accession IDMSBNK-Eawag-EQ280705
P6689MassBank accession IDMSBNK-Eawag-EQ280706
P6689MassBank accession IDMSBNK-Eawag-EQ280707
P6689MassBank accession IDMSBNK-Eawag-EQ280708
P6689MassBank accession IDMSBNK-Eawag-EQ280709
P11199Probes And Drugs IDPD070373
P662PubChem CID6473866
P2877SureChEMBL ID13933941
P11089UniChem compound ID56437029

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