CHEBI:9603 - Tinyatoxin

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ChEBI Name Tinyatoxin
ChEBI ID CHEBI:9603
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H38O8
Net Charge 0
Average Mass 598.683
Monoisotopic Mass 598.257
InChI InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35?,36-/m1/s1
InChIKey WWZMXEIBZCEIFB-BNTGGEEQSA-N
SMILES C[C@@H]1C[C@@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
ChEBI Ontology
Outgoing Tinyatoxin (CHEBI:9603) is a diterpenoid (CHEBI:23849)
Synonym Source
Tinyatoxin KEGG COMPOUND
Manual Xrefs Databases
C00003492 KNApSAcK
C09201 KEGG COMPOUND
View more database links
Registry Number Type Source
58821-95-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014