C00031101 - Asparagus cochinchinensis [KNApSAcK Core - 生物種-代謝物関係データ]

C00031101 - Asparagus cochinchinensis
C_ID	C00031101
CAS RN	102115-79-7
Metabolite	Pseudoprotodioscin;(-)-Pseudoprotodioscin
Molecular Formula	C51H82O21
Organism	Asparagus cochinchinensis
Kingdom	Plantae
Family	Asparagaceae
Genus	Asparagus
SMILES	C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1C(=C(O2)CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
InChI	InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1
InChIKey	MDCUMTGKKLOMCW-VDKVJRAXNA-N
Reference	Liang, et al., Planta Med, 54, (1988), 344.;Sashida, et al., Phytochemistry, 31, (1992), 2439.;Sun, et al., CTHD, 26, (1995), 395.;Dong, et al., Planta Med, 70, (2004), 637
Structural formula