input word = C00048472

Metabolite InformationStructural formula
Name Macarangioside E
(+)-Macarangioside E
Formula C26H34O11
Mw 522.21011193
CAS RN 1177291-29-0
C_ID C00048472 ,
InChIKey USMQLSYNCFOLAA-WNCXAHGDNA-N
InChICode InChI=1S/C26H34O11/c1-12-7-15(27)10-26(3,4)16(12)6-5-13(2)36-25-23(33)22(32)21(31)19(37-25)11-35-24(34)14-8-17(28)20(30)18(29)9-14/h5-9,13,16,19,21-23,25,28-33H,10-11H2,1-4H3/b6-5+/t13-,16+,19-,21-,22+,23-,25-/m1/s1
SMILES CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMacaranga tanarius Ref.
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