input word = C00010629

Metabolite InformationStructural formula
Name Mussaenosidic acid
Formula C16H24O10
Mw 376.13694699
CAS RN 82451-22-7
C_ID C00010629 ,
InChIKey VLCHQFXSBHIBRV-WCQHRLGTNA-N
InChICode InChI=1S/C16H24O10/c1-16(23)3-2-6-7(13(21)22)5-24-14(9(6)16)26-15-12(20)11(19)10(18)8(4-17)25-15/h5-6,8-12,14-15,17-20,23H,2-4H2,1H3,(H,21,22)/t6-,8-,9-,10-,11-,12+,14+,15-,16+/m1/s1
SMILES [C@H]12[C@H]([C@@H](OC=C1C(=O)O)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)[C@](CC2)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia vulgaris L. Ref.
PlantaeLabiataeVitex agnus-castus Ref.
PlantaeOrobanchaceaeCistanche deserticola Ref.
PlantaeOrobanchaceaeCistanche salsa Ref.
PlantaeOrobanchaceaeCistanche tubulosa Ref.
PlantaeOrobanchaceaeMelampyrum cristatum Ref.
PlantaeOrobanchaceaePedicularis longiflora var. tubiformis Ref.
PlantaeOrobanchaceaePedicularis muscicola Ref.
PlantaePlantaginaceaeKickxia abhaica D.A Sutton Ref.
PlantaePlantaginaceaePlantago alpina Ref.
PlantaePlantaginaceaePlantago arborescens Ref.
PlantaePlantaginaceaePlantago nivalis Ref.
PlantaePlantaginaceaePlantago sempervirens Ref.
PlantaePlantaginaceaePlantago webbii Ref.
PlantaePlantaginaceaeWulfenia orientalis BOISS. Ref.
PlantaeRubiaceaeAdina polycephala Benth Ref.
PlantaeRubiaceaeGardenia jasminoides Ref.
PlantaeScrophulariaceaeCamptoloma lyperiiflorum (Vatke) Hillard Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
--Baleria lupulina Ref.
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