CHEBI:180991 - Teraspiridole B_130089

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ChEBI Name Teraspiridole B_130089
ChEBI ID CHEBI:180991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H42N2O6
Net Charge 0
Average Mass 574.718
Monoisotopic Mass 574.30429
InChI InChI=1S/C34H42N2O6/c1-19(37)40-25-17-23-29(2,3)41-26(38)12-13-30(23,4)22-11-14-31(5)24(32(22,25)6)18-34(42-31)20-9-7-8-10-21(20)36-27(34)35-33(15-16-33)28(36)39/h7-10,12-13,22-25,27,35H,11,14-18H2,1-6H3
InChIKey CFJUIISUVIQUCC-UHFFFAOYSA-N
SMILES O1C2(C(C3(C(C4(C(CC3OC(=O)C)C(OC(=O)C=C4)(C)C)C)CC2)C)CC15C6N(C=7C5=CC=CC7)C(=O)C8(N6)CC8)C
ChEBI Ontology
Outgoing Teraspiridole B_130089 (CHEBI:180991) is a naphthofuran (CHEBI:39270)