input word = C00005595

Metabolite InformationStructural formula
Name Tamarixetin 3-robinobioside
Formula C28H32O16
Mw 624.16903498
CAS RN 137129-37-4
C_ID C00005595 ,
InChIKey KEIZXGINFPDITQ-QMCFYMAJNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18+,19-,21+,22-,23-,24+,27-,28+/m1/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@H](O)C(O)C2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAsteriscus graveolens Ref.
PlantaeCampanulaceae/LobeliaceaeWahlenbergia marginata Ref.
zoom in