CHEBI:224883 - HS-C

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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 HS-C
ChEBI ID CHEBI:224883
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H58O10
Net Charge 0
Average Mass 674.872
Monoisotopic Mass 674.40300
InChI InChI=1S/C38H58O10/c1-20(39)45-31-25(46-30(43)19-35(6,44)18-29(41)42)17-36(7)24-16-27(40)38(9)22(21-10-13-28-34(4,5)48-32(21)47-28)14-15-37(38,8)23(24)11-12-26(36)33(31,2)3/h21-22,25-28,31-32,40,44H,10-19H2,1-9H3,(H,41,42)/t21?,22-,25-,26?,27+,28+,31+,32+,35?,36-,37+,38+/m1/s1
InChIKey KLBORFZHMCIDPM-XRFYSVSASA-N
SMILES O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4C5[C@@H]6OC(C)(C)[C@@H](O6)CC5)C)C)(C)C)CC(O)(CC(=O)O)C
Metabolite of Species Details
Hebeloma senescens (NCBI:txid246967) See: DOI
ChEBI Ontology
Outgoing HS-C (CHEBI:224883) is a triterpenoid (CHEBI:36615)
IUPAC Name
5-[[(2R,3R,10S,12S,13R,14S,17R)-3-acetyloxy-17-[(1S,5S)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual Xref Database
78443758 ChemSpider
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