input word = C00030657

Metabolite InformationStructural formula
Name Leucosceptoside A
Formula C30H38O15
Mw 638.22107055
CAS RN 83529-62-8
C_ID C00030657 ,
InChIKey ZMYQRHSOVRDQDL-KVEOLEFTNA-N
InChICode InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-3-6-17(32)19(34)11-16)43-21(13-31)27(28)44-22(35)8-5-15-4-7-18(33)20(12-15)40-2/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ebracteatus Ref.
PlantaeBignoniaceaeBarnettia kerrii Ref.
PlantaeBignoniaceaeFernandoa adenophylla Ref.
PlantaeBuddlejaceaeBuddleja davidii Ref.
PlantaeGlobulariaceaeGlobularia davisiana Ref.
PlantaeLabiataeClerodendrum inerme Ref.
PlantaeLabiataeLamium purpureum L. Ref.
PlantaeLabiataeLeonurus persicus Ref.
PlantaeLabiataeLeucosceptrum japonicum Ref.
PlantaeLabiataeMarrubium velutinum Ref.
PlantaeLabiataeScutellaria baicalensis Ref.
PlantaeMalvaceaeFirmiana platanifolia Ref.
PlantaeOrobanchaceaePedicularis nordmanniana Ref.
PlantaeOrobanchaceaePhtheirospermum japonicum Ref.
PlantaePlantaginaceaePlantago asiatica Ref.
PlantaePlantaginaceaePlantago lanceolata Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeVerbenaceaeVerbena brasiliensis VELL Ref.
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OrganismScutellaria baicalensis
Referencehttps://doi.org/10.1016/S0031-9422(96)00443-8