input word = C00033263

Metabolite InformationStructural formula
Name Officinoside C
(-)-Officinoside C
Formula C27H46O11
Mw 546.30401231
CAS RN 366450-68-2
C_ID C00033263 ,
InChIKey OFIPMYQXNOJVMT-QNXZGNTKNA-N
InChICode InChI=1S/C27H46O11/c1-12-15-10-14(26(3,4)38-25-23(34)20(31)18(29)13(2)35-25)6-8-27(15,5)9-7-16(12)36-24-22(33)21(32)19(30)17(11-28)37-24/h13-25,28-34H,1,6-11H2,2-5H3/t13-,14+,15-,16-,17+,18-,19+,20+,21-,22+,23+,24+,25-,27-/m0/s1
SMILES [C@@H]1(CC[C@]2([C@H](C1=C)C[C@@H](CC2)C(O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)(C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
zoom in