CHEBI:211712 - (+)-dalmanol C

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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 (+)-dalmanol C
ChEBI ID CHEBI:211712
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O9
Net Charge 0
Average Mass 530.529
Monoisotopic Mass 530.15768
InChI InChI=1S/C30H26O9/c1-12(9-18(35)25-14(31)5-3-6-15(25)32)23-13(2)24-19(36)10-20(37)27-21(38)11-22(39)28(30(24)27)29(23)26-16(33)7-4-8-17(26)34/h3-8,10-13,23,31-34,36-38H,9H2,1-2H3/t12-,13-,23-/m1/s1
InChIKey LYOHBAPHLJXBJF-NSCUQIJASA-N
SMILES O=C1C=2C3=C(C(O)=CC(=C3[C@H](C)[C@H](C2C4=C(O)C=CC=C4O)[C@@H](CC(=O)C5=C(O)C=CC=C5O)C)O)C(=C1)O
Metabolite of Species Details
Daldinia eschscholzii IFB-TL01 (NCBI:txid1169046) See: PubMed
ChEBI Ontology
Outgoing (+)-dalmanol C (CHEBI:211712) is a benzenes (CHEBI:22712)
(+)-dalmanol C (CHEBI:211712) is a naphthalenes (CHEBI:25477)
(+)-dalmanol C (CHEBI:211712) is a ring assembly (CHEBI:36820)
IUPAC Name
(7R,8R)-9-(2,6-dihydroxyphenyl)-8-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one
Manual Xref Database
78441498 ChemSpider
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