Properties
Canonical smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Chemical formula
C₂₈H₃₄O₁₅
Found in taxon
Zanthoxylum rigidum, Rutaceae, Zanthoxylum dipetalum, Citrus unshiu, Baccharis magellanica, Citrus sudachi, Esenbeckia, Ficus erecta var. beecheyana, Agathosma betulina, Artemisia capillaris, Betula obscura, Betula pendula, Boronia inconspicua, Citrus excelsa, Citrus grandis, Citrus hystrix, Citrus jambhiri, Citrus latipes, Citrus longispina, Citrus macrophylla, Citrus nobilis, Citrus shunkokan, Citrus sulcata, Hyuganatsu, Citrus ujukitsu, Citrus webberi, Citrus wilsonii, Clinopodium laxiflorum, Drummondita calida, Eremocitrus glauca, Eriostemon cynobiformis, Philotheca rhomboidea, Philotheca tomentella, Tetradium daniellii, Zanthoxylum gilletii, Humulus lupulus, Mentha longifolia, common myrtle, Pilocarpus trachylophus, Valeriana oficina los, Viola arvensis, Zanthoxylum nitidum, Zanthoxylum rhoifolium, Zanthoxylum scandens, Zanthoxylum sprucei, Chrysanthemum morifolium, Welsh onion, Mentha piperita piperita, Calycotome villosa, Cyclopia falcata, Cyclopia subternata, Zanthoxylum fauriei, Flindersia acuminata, Flindersia collina, Flindersia laevicarpa, Flindersia xanthoxyla, Perovskia atriplicifolia, Polygonatum odoratum, Thymus vulgaris, Verbascum phlomoides, Zanthoxylum avicennae, Zanthoxylum zanthoxyloides, Cyclopia intermedia, Zanthoxylum leprieurii, Microcitrus inodora, Salvia abrotanoides, Mentha piperita, Portulaca oleracea, Citrus × paradisi, Rosmarinus officinalis, Salvia yangii, Cynara scolymus, Citrus tankan, Toddalia asiatica, pomelo, Zanthoxylum asiaticum, Cynara cardunculus, Citrus reticulata, Citrus × deliciosa, Mentha spicata, Citrus medica, Citrus cavaleriei, Ziziphus spina-christi, Nepeta tenuifolia, kumquat, Poncirus trifoliata, Cyanthillium cinereum, Salvia, Vernonanthura divaricata, Salvia officinalis, Citrus, Citrus japonica
Isomeric smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Mass
+610.19
Stereoisomer of
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
External References (37)
Cas registry number
520-26-3
Chebi id
28775
Chembl id
CHEMBL449317
Chemspider id
10176
Cosing number
34252
Decs id
6728
Drugbank id
DB04703
Dsstox compound identifier
DTXCID7024328
Dsstox substance id
DTXSID9044328
Ec number
208-288-1
Echa substance infocard id
100.007.536
Freebase id
/m/0bmt_g
Human metabolome database id
HMDB0003265
Inchi
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Inchikey
QUQPHWDTPGMPEX-QJBIFVCTSA-N
Kegg id
D01038
Knapsack id
C00000970
Lipid maps id
LMPK12140451
Massbank accession id
BS003857, BS003858, BS003859, BS003860, BS003861, BS003862, MSBNK-Fiocruz-FIO00483, MSBNK-Fiocruz-FIO00484, MSBNK-Fiocruz-FIO00485, MSBNK-Fiocruz-FIO00486, MSBNK-Fiocruz-FIO00487, MSBNK-Fiocruz-FIO00488, MSBNK-Fiocruz-FIO00489, MSBNK-Fiocruz-FIO00490, MSBNK-Fiocruz-FIO00491, MSBNK-Fiocruz-FIO00492, MSBNK-RIKEN-PR020046, MSBNK-RIKEN-PR100354, MSBNK-RIKEN-PR100801, MSBNK-Univ_Toyama-TY000027, MSBNK-Univ_Toyama-TY000036, MSBNK-Univ_Toyama-TY000206
Mesh descriptor id
D006569
Mesh tree code
D03.383.663.283.266.450.252.500, D03.633.100.150.266.450.252.500, D09.408.386
Microsoft academic id (discontinued)
2776128092
Ndf-rt id
N0000147865
Nikkaji id
J4.480F
Nmrshiftdb structure id
60004390
Nsc number
44184
Openalex id
C2776128092
Probes and drugs id
PD013341
Pubchem cid
10621
Reaxys registry number
75140
Rxnorm cui
5281
Splash
splash10-0udi-0109500000-d16e1ccb83edc18c2285, splash10-0udi-0109000000-44829065079eda0599e1, splash10-0udi-0209000000-edd02887a04b421dbb39, splash10-0udi-0819000000-3ad8fb39515b5eaa0fd2, splash10-0a4i-0000009000-8c42f8adffac7d78b94c, splash10-0zfr-0006009000-1f68460ef007fbd1cfa9, splash10-0udi-0009002000-26d653ee690ce5c6cd20, splash10-0udi-0009000000-a4d68b31e046fbf057d6, splash10-0udi-0019000000-e9135e61d5aa11f40135, splash10-03di-0001309000-7a6d6a4211ac4e207bd3, splash10-0udi-3719300000-f2635b73560ddfd8533f, splash10-0udi-0119003000-80c5f918f82d46fc1131, splash10-0a4i-0000009100-7d143d5e2b3c54d312d9, splash10-03di-0003409000-0024cfd8033bc3d7ff12, splash10-0udi-0029000000-15e7bff1df4ba788d095, splash10-0udi-0009000000-3718c528980d1a6c0b48, splash10-0udi-0009000000-ceaf67f0c88c7c57a778, splash10-0f6t-0003910000-f82ffa56b81ca06477a1, splash10-0hft-0004920000-609165d915e45f6d3bd0, splash10-0udi-0009000000-61913fa50999b10c770d, splash10-0udi-0109400000-8487a03779c3d9d5920f, splash10-0bt9-0000009000-86e4f7193258994f8314, splash10-0a4i-0000009000-b47786e725cb1430a2ea, splash10-0zfr-0009006000-bea3bcf31bf678cf5c41, splash10-0udi-0009000000-696b061cfa4972360c77, splash10-0udi-0009000000-983f72627c237b152015, splash10-0udi-0009000000-4654c4f0373b590afa3b, splash10-0002-0001910000-907392c9487c399e7019, splash10-0udi-0009000000-93be6391e545f9647cb6
Surechembl id
94586
Umls cui
C0019392
Unichem compound id
202836
Unii
E750O06Y6O
Zvg number
104626