input word = C00042165

Metabolite InformationStructural formula
Name 6'-O-Menthiafoloylmussaenosidic acid
Formula C26H38O12
Mw 542.23632668
CAS RN 219787-01-6
C_ID C00042165 ,
InChIKey AXRQCSKKDBKXEL-VRDVUXRHNA-N
InChICode InChI=1S/C26H38O12/c1-5-25(3,33)9-6-7-13(2)22(32)35-12-16-18(27)19(28)20(29)24(37-16)38-23-17-14(8-10-26(17,4)34)15(11-36-23)21(30)31/h5,7,11,14,16-20,23-24,27-29,33-34H,1,6,8-10,12H2,2-4H3,(H,30,31)/b13-7+/t14-,16-,17-,18-,19+,20-,23+,24+,25-,26+/m1/s1
SMILES C=CC(C)(O)CC/C=C(C)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica bellidioides Ref.
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