input word = C00058405

Metabolite InformationStructural formula
Name Cinnamrutinose B
Formula C28H34O11
Mw 546.21011193
CAS RN 155179-19-4
C_ID C00058405
InChIKey LWVSXMQZBKGWSO-QRUUPIGCSA-N
InChICode InChI=1S/C28H34O11/c1-16-20(29)22(31)24(33)27(37-16)36-15-19-21(30)23(32)25(39-26(34)18-12-6-3-7-13-18)28(38-19)35-14-8-11-17-9-4-2-5-10-17/h2-13,16,19-25,27-33H,14-15H2,1H3/b11-8+/t16-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus tremula Ref.
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