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CHEBI:176320 - Mabioside C

ChEBI IDCHEBI:176320
ChEBI NameMabioside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H64O14
Net Charge0
Average Mass792.960
Monoisotopic Mass792.42961
SMILES[H][C@]12CC[C@]3([H])C4=C(COC(=O)[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C)[C@@H](CC=C(C)C)OC4=O
InChIInChI=1S/C42H64O14/c1-19(2)9-11-23-21-17-52-38(50)42(8)22(28(21)35(49)54-23)10-12-26-40(6)15-14-27(39(4,5)25(40)13-16-41(26,42)7)56-37-34(48)32(46)30(44)24(55-37)18-51-36-33(47)31(45)29(43)20(3)53-36/h9,20,22-27,29-34,36-37,43-48H,10-18H2,1-8H3/t20-,22+,23+,24+,25-,26+,27-,29-,30+,31+,32-,33+,34+,36+,37-,40-,41+,42-/m0/s1
InChIKeyMRRXLUATSGZGMZ-UBNBOHLQSA-N
ChEBI Ontology
Outgoing Relation(s)
Mabioside C (CHEBI:176320) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1R,2R,5R,7S,10R,11R,14R,18R)-1,2,6,6,10-pentamethyl-18-(3-methylbut-2-enyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-17,21-dioxapentacyclo[12.8.0.02,11.05,10.015,19]docos-15(19)-ene-16,22-dione