input word = C00034553

Metabolite InformationStructural formula
Name Isomartynoside
Formula C31H40O15
Mw 652.23672061
CAS RN 94410-22-7
C_ID C00034553 ,
InChIKey NFTBVWKAIZBSRS-FXERWRIPNA-N
InChICode InChI=1S/C31H40O15/c1-15-24(35)26(37)27(38)31(44-15)46-29-25(36)22(14-43-23(34)9-6-16-4-7-18(32)21(13-16)41-3)45-30(28(29)39)42-11-10-17-5-8-20(40-2)19(33)12-17/h4-9,12-13,15,22,24-33,35-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29-,30+,31-/m0/s1
SMILES COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeStrobilanthes cusia Ref.
PlantaeBuddlejaceaeBuddleja davidii Ref.
PlantaeLabiataeProstanthera melissifolia Ref.
PlantaeLabiataeScutellaria albida subsp.albida Ref.
PlantaePlantaginaceaePlantago asiatica Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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