CHEBI:94606 - LSM-5535

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ChEBI Name LSM-5535 ChEBI ID CHEBI:94606 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C43H53NO14 Net Charge 0 Average Mass 807.881 Monoisotopic Mass 807.34661 InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28-,30+,31-,32-,33+,35+,41-,42-,43-/m1/s1 InChIKey ZDZOTLJHXYCWBA-KGPXQYHHSA-N SMILES CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O ChEBI Ontology Outgoing LSM-5535 (CHEBI:94606) is a taxane diterpenoid (CHEBI:50367) Manual Xref Database LSM-5535 LINCS View more database links