Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006844
PROPERTIES
NPAID | NPA006844 |
---|---|
CLUSTER ID | 1378 |
NODE ID | 1160 |
NAME | Torularhodinaldehyde |
FORMULA | C40H52O |
MOLECULAR WEIGHT (Da) | 548.8550 |
ACCURATE MASS (Da) | 548.4018 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Cystofilobasidium |
ORIGIN SPECIES | infirmominiatum |
InChIKey | IAEFJGPZEPGPGJ-HMHVFHPLSA-N |
InChI | InChI=1S/C40H52O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,31H,16,27,30H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+ |
SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Herz, Stephanie; Weber, Roland W.S.; Anke, Heidrun; Mucci, Adele; Davoli, Paolo Intermediates in the oxidative pathway from torulene to torularhodin in the red yeasts Cystofilobasidium infirmominiatum and C. capitatum (Heterobasidiomycetes, Fungi) Phytochemistry 2007 68 (20) 2503-2511. | ||
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DOI | 10.1016/j.phytochem.2007.05.019 | PMID | 17597170 |