Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009852
PROPERTIES
NPAID | NPA009852 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Fasciculic acid E |
FORMULA | C38H63NO10 |
MOLECULAR WEIGHT (Da) | 693.9190 |
ACCURATE MASS (Da) | 693.4452 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Hypholoma |
ORIGIN SPECIES | fasciculare |
InChIKey | LILVUFKXDGZLEC-VUSFHJTISA-N |
InChI | InChI=1S/C38H63NO10/c1-21(10-13-27(40)34(4,5)47)22-14-15-37(8)23-11-12-26-33(2,3)32(46)25(17-36(26,7)24(23)16-28(41)38(22,37)9)49-31(45)19-35(6,48)18-29(42)39-20-30(43)44/h21-22,25-28,32,40-41,46-48H,10-20H2,1-9H3,(H,39,42)(H,43,44)/t21-,22-,25-,26?,27-,28+,32+,35?,36-,37+,38+/m1/s1 |
SMILES | C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)NCC(=O)O)O)C)O)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Kleinwächter, Peter; Luhmann, Udo; Schlegel, Brigitte; Heinze, Stefan; Härtl, Albert; Kiet, Trinh Tam; Gräfe, Udo New fasciculol-type triterpene compounds from Hypholoma fasciculare Journal of Basic Microbiology 1999 39 (5-6) 345-349. | ||
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DOI | 10.1002/(sici)1521-4028(199912)39:5/6<345::aid-jobm345>3.0.co;2-k | PMID | - |