Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004652
PROPERTIES
NPAID | NPA004652 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Daedaleanic acid A |
FORMULA | C31H46O4 |
MOLECULAR WEIGHT (Da) | 482.7050 |
ACCURATE MASS (Da) | 482.3396 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Daedalea |
ORIGIN SPECIES | dickinsii |
InChIKey | MFOKWUZMHJXWFI-ZKBPDDLLSA-N |
InChI | InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1 |
SMILES | CC1=C(C2=C(C=C1)[C@@]3(C[C@H]([C@@H]([C@]3(CC2)C)[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)CCC(=O)C(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Yoshikawa, Kazuko; Kouso, Kazuaki; Takahashi, Jyoji; Matsuda, Akiko; Okazoe, Mina; Umeyama, Akemi; Arihara, Shigenobu Cytotoxic constituents of the fruit body of Daedalea dickisii Journal of Natural Products 2005 68 (6) 911-914. | ||
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DOI | 10.1021/np058024c | PMID | 15974617 |