CHEBI:140807 - mbas#3(1-)

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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 mbas#3(1-)
ChEBI ID CHEBI:140807
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C20H31O7
Net Charge -1
Average Mass 383.457
Monoisotopic Mass 383.20753
InChI InChI=1S/C20H32O7/c1-5-13(2)19(24)27-17-12-16(21)20(26-15(17)4)25-14(3)10-8-6-7-9-11-18(22)23/h5,9,11,14-17,20-21H,6-8,10,12H2,1-4H3,(H,22,23)/p-1/b11-9+,13-5+/t14-,15+,16-,17-,20-/m1/s1
InChIKey NKVDNSIHZYHTDR-KADWPSLISA-M
SMILES C/C=C(\C)/C(=O)O[C@@H]1C[C@@H](O)[C@H](O[C@H](C)CCCC/C=C/C([O-])=O)O[C@H]1C
ChEBI Ontology
Outgoing mbas#3(1-) (CHEBI:140807) is a organic molecular entity (CHEBI:50860)