input word = C00034597

Metabolite InformationStructural formula
Name Martynoside
Formula C31H40O15
Mw 652.23672061
CAS RN 67884-12-2
C_ID C00034597 ,
InChIKey WLWAYPFRKDSFCL-HCRRKUBANA-N
InChICode InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
SMILES [C@H]1([C@H]([C@H]([C@@H](O[C@H]1C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)/C=C/c1cc(c(cc1)O)OC)CO)OCCc1ccc(c(c1)O)OC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ebracteatus Ref.
PlantaeBignoniaceaeFernandoa adenophylla Ref.
PlantaeLabiataeLeucosceptrum japonicum Ref.
PlantaeLabiataeProstanthera melissifolia Ref.
PlantaeLabiataeSchnabelia tetradonta Ref.
PlantaeLabiataeScutellaria albida subsp.albida Ref.
PlantaeLabiataeStachys lanata Ref.
PlantaeMalvaceaeFirmiana platanifolia Ref.
PlantaePaulowniaceaePaulownia tomentosa Ref.
PlantaePlantaginaceaeBacopa monniera Ref.
PlantaePlantaginaceaePlantago lanceolata Ref.
PlantaePlantaginaceaeVeronica anagallis-aquatica Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeVerbascum wiedemannianum Ref.
--Pentemon gentianoides HBK Ref.
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