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CHEBI:204769 - Nodulisporic acid B

ChEBI IDCHEBI:204769
ChEBI NameNodulisporic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H55NO5
Net Charge0
Average Mass665.915
Monoisotopic Mass665.40802
SMILESC=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O
InChIInChI=1S/C43H55NO5/c1-22(2)30-20-28-33-25(29-21-39(4,5)49-40(6,7)34(29)36(33)46)19-26-27-18-24-13-14-31-41(8,16-11-12-23(3)38(47)48)32(45)15-17-42(31,9)43(24,10)37(27)44(30)35(26)28/h11-12,16,19,21,24,30-32,34,36,45-46H,1,13-15,17-18,20H2,2-10H3,(H,47,48)/b16-11+,23-12+/t24-,30+,31-,32-,34+,36+,41-,42-,43+/m0/s1
InChIKeyWCAKZBQMVHYHED-XWOVQGDBSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - PubMed (12270179)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporic acid B (CHEBI:204769) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2E,4E)-5-[(3S,4S,7S,8S,9R,12S,23R,24S,28R)-7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl]-2-methylpenta-2,4-dienoic acid
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24686651ChemSpider