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CHEBI:188554 - sesterstatin 7

ChEBI IDCHEBI:188554
ChEBI Namesesterstatin 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILES[H][C@]12C[C@@H](O)[C@]3(C)C4=C(COC4=O)[C@@H](OC(C)=O)C[C@@]3([H])[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C27H40O5/c1-15(28)32-17-12-20-26(5)11-8-18-24(2,3)9-7-10-25(18,4)19(26)13-21(29)27(20,6)22-16(17)14-31-23(22)30/h17-21,29H,7-14H2,1-6H3/t17-,18-,19+,20-,21+,25-,26+,27+/m0/s1
InChIKeyLOCDSBKFSVHNIV-XPSVZDKBSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
sesterstatin 7 (CHEBI:188554) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
[(4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzouran-4-yl] acetate
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