CHEBI:198689 - Laetiposide B

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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 Laetiposide B
ChEBI ID CHEBI:198689
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H58O9
Net Charge 0
Average Mass 634.851
Monoisotopic Mass 634.40808
InChI InChI=1S/C36H58O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-26,28-30,32,37-41H,8,10-18H2,1-7H3,(H,42,43)/t20-,21-,23-,24?,25?,26+,28?,29?,30?,32?,34-,35-,36+/m1/s1
InChIKey CDBVMUNFRJLBSP-WDHZJLKFSA-N
SMILES O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](O)CC4)(C)C)C[C@H]3OC5OC(C(O)C(C5O)O)CO)C)CC2)(C)CC1)C)CCC=C(C)C
Metabolite of Species Details
Laetiporus versisporus (NCBI:txid447507) See: PubMed
ChEBI Ontology
Outgoing Laetiposide B (CHEBI:198689) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R)-2-[(3S,7R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Manual Xref Database
78445025 ChemSpider
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