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CHEBI:208042 - Ergosterdiacid B

ChEBI IDCHEBI:208042
ChEBI NameErgosterdiacid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O5
Net Charge0
Average Mass510.715
Monoisotopic Mass510.33452
SMILESCC(C)C(C)/C=C\[C@@H](C)[C@H]1C[C@H]2C3=C4[C@@H](C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]31C)[C@@H](C(=O)O)[C@@H]2C(=O)O
InChIInChI=1S/C32H46O5/c1-16(2)17(3)7-8-18(4)24-15-22-27(30(36)37)26(29(34)35)21-14-19-13-20(33)9-11-31(19,5)23-10-12-32(24,6)28(22)25(21)23/h7-8,14,16-18,20-24,26-27,33H,9-13,15H2,1-6H3,(H,34,35)(H,36,37)/b8-7-/t17?,18-,20+,21-,22-,23+,24-,26-,27-,31+,32-/m1/s1
InChIKeyJSHSCUURHCKUTD-UENMGSEJSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30176258)
ChEBI Ontology
Outgoing Relation(s)
Ergosterdiacid B (CHEBI:208042) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1R,2R,5S,9S,10R,11R,12R,14R,15R)-14-[(Z,2R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,15-dimethylpentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-7,18-diene-10,11-dicarboxylic acid
Manual XrefsDatabases
71078921ChemSpider