input word = C00030516

Metabolite InformationStructural formula
Name Isoacteoside
Isoverbascoside
Formula C29H36O15
Mw 624.20542048
CAS RN 61303-13-7
C_ID C00030516 ,
InChIKey FNMHEHXNBNCPCI-HLHSQOBJNA-N
InChICode InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ebracteatus Ref.
PlantaeAcanthaceaeBarleria strigosa Ref.
PlantaeAcanthaceaeStrobilanthes crispus Ref.
PlantaeBignoniaceaeBarnettia kerrii Ref.
PlantaeBignoniaceaeDolichandrone serrulata Ref.
PlantaeBignoniaceaeFernandoa adenophylla Ref.
PlantaeBignoniaceaeMarkhamia lutea Ref.
PlantaeBignoniaceaeMarkhamia stipulata Ref.
PlantaeBignoniaceaeStereospermum cylindricum Ref.
PlantaeCelastraceaeMaytenus loevis Ref.
PlantaeFabaceaeBauhinia tarapotensis Ref.
PlantaeGlobulariaceaeGlobularia davisiana Ref.
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
PlantaeLabiataeClerodendrum inerme Ref.
PlantaeLabiataeLamium purpureum L. Ref.
PlantaeLabiataePhlomis brunneogaleata Ref.
PlantaeLabiataeProstanthera melissifolia Ref.
PlantaeLabiataeStachys lanata Ref.
PlantaeMagnoliaceaeMagnolia officinalis Ref.
PlantaeMyoporaceaeMyoporum bontioides Ref.
PlantaeOleaceaeFraxinus ornus Ref.
PlantaeOrobanchaceaeOrobanche coerulescens Ref.
PlantaePedaliaceaeHarpagophytum procumbens Ref.
PlantaePlantaginaceaePlantago asiatica Ref.
PlantaePlantaginaceaeVeronica montana Ref.
PlantaePlantaginaceaeVeronica persica Ref.
PlantaePlantaginaceaeVeronica polita Ref.
PlantaePlantaginaceaeVeronica spuria Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeScrophularia dentata Ref.
PlantaeScrophulariaceaeScrophularia scopolii Ref.
PlantaeVerbenaceaeLippia alba Ref.
PlantaeVerbenaceaeLippia dulcis TREV. Ref.
PlantaeVerbenaceaeVerbena littoralis Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
--Pithecotenium crucigerum (L.) A.H Gentry Ref.
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