CHEBI:204693 - Virescenoside R3

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 Virescenoside R3
ChEBI ID CHEBI:204693
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H54O13
Net Charge 0
Average Mass 658.782
Monoisotopic Mass 658.35644
InChI InChI=1S/C33H54O13/c1-6-30(2)9-10-32(4)16(11-30)7-8-20-31(3,27(42)17(35)12-33(20,32)5)15-44-29-26(41)24(39)22(37)19(46-29)14-43-28-25(40)23(38)21(36)18(13-34)45-28/h6-7,17-29,34-42H,1,8-15H2,2-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+/m1/s1
InChIKey BCJWMXDKQZDJOV-HDXZBMLESA-N
SMILES O1[C@@H](OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2CC=C4[C@@]3(CC[C@@](C4)(C=C)C)C)C)C)[C@@H](O)[C@H](O)[C@@H]([C@H]1CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)O
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: DOI
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 Virescenoside R3 (CHEBI:204693) is a steroid saponin (CHEBI:61655)
IUPAC Name
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S,6R)-6-[[(1S,2R,3R,4aS,4bS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,4b,7-tetramethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
78440193 ChemSpider
View more database links