CHEBI:197045 - Ampeloside Bf1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ampeloside Bf1
ChEBI ID CHEBI:197045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H86O26
Net Charge 0
Average Mass 1115.223
Monoisotopic Mass 1114.54073
InChI InChI=1S/C51H86O26/c1-18(17-69-45-39(64)36(61)33(58)28(13-52)71-45)5-8-51(68)19(2)32-27(77-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)70-46-41(66)38(63)43(31(16-55)74-46)75-48-42(67)44(35(60)30(15-54)73-48)76-47-40(65)37(62)34(59)29(14-53)72-47/h18-48,52-68H,5-17H2,1-4H3
InChIKey RPLNTGAJLNTPGI-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(C(O)C4)CC(OC6OC(C(OC7OC(C(O)C(OC8OC(C(O)C(O)C8O)CO)C7O)CO)C(O)C6O)CO)C(O)C5)C)CC3)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ampeloside Bf1 (CHEBI:197045) is a steroid saponin (CHEBI:61655)
IUPAC Name
16-[5-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol
Manual Xref Database
HMDB0031881 HMDB
View more database links