input word = C00005556

Metabolite InformationStructural formula
Name Isorhamnetin 3,7-di-O-beta-glucopyranoside
Isorhamnetin 3,7-diglucoside
Isorhamnetin 3,7-di-beta-D-glucopyranoside
Formula C28H32O17
Mw 640.1639496
CAS RN 6758-51-6
C_ID C00005556 ,
InChIKey ZYYJHXKSQKLEBL-PIHYUUDINA-N
InChICode InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-26(45-28-24(39)22(37)19(34)16(8-30)44-28)20(35)17-12(32)5-10(6-14(17)42-25)41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24+,27-,28+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePetroselinum crispum Ref.
PlantaeAsteraceaeTaraxacum officinale Ref.
PlantaeCrassulaceaeSedum acre Ref.
PlantaeCrassulaceaeSedum alfredi Ref.
PlantaeCrassulaceaeSedum sarmentosum Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeFabaceaeAstragalus galegiformis Ref.
PlantaeFabaceaeLotus polyphyllos Ref.
PlantaePapaveraceaeArgemone mexicana Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeZygophyllaceaeTribulus pentandrus Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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