Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA017020
PROPERTIES
NPAID | NPA017020 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | 16-deoxyporicoic acid B |
FORMULA | C30H44O4 |
MOLECULAR WEIGHT (Da) | 468.6780 |
ACCURATE MASS (Da) | 468.3240 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Poria |
ORIGIN SPECIES | cocos |
InChIKey | ZYEKRDSCPDPVSG-MTGBOMLISA-N |
InChI | InChI=1S/C30H44O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,12,14,21-23H,3,8,10-11,13,15-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21?,22-,23+,28-,29+,30-/m0/s1 |
SMILES | CC(=CCCC([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)C(=O)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Akihisa, Toshihiro; Nakamura, Yuji; Tokuda, Harukuni; Uchiyama, Emiko; Suzuki, Takashi; Kimura, Yumiko; Uchikura, Kazuo; Nishino, Hoyoku Triterpene acids from Poria cocos and their anti-tumor-promoting effects Journal of Natural Products 2007 70 (6) 948-953. | ||
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DOI | 10.1021/np0780001 | PMID | 17488130 |