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Compounds

COMPOUND NPA002582

STRUCTURE
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PROPERTIES
NPAID NPA002582
CLUSTER ID 1529
NODE ID 1256
NAME Ostreocin D
FORMULA C127H219N3O53
MOLECULAR WEIGHT (Da) 2636.1170
ACCURATE MASS (Da) 2634.4534
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Unknown-fungus
ORIGIN SPECIES sp.
InChIKey QJZSVGZHSZCZHY-VTCJPEJPSA-N
InChI InChI=1S/C127H219N3O53/c1-63(29-34-80(141)110(159)105(154)67(5)47-95-113(162)117(166)112(161)93(177-95)38-37-75(136)82(143)51-72-50-73-53-94(175-72)92(174-73)40-39-91-85(146)52-74(62-128)176-91)22-20-27-77(138)106(155)76(137)25-17-13-15-24-70(134)49-96-114(163)118(167)115(164)99(178-96)55-84(145)83(144)54-97-109(158)88(149)57-98(179-97)107(156)79(140)35-32-68(132)31-30-65(3)90(151)61-127(173)123(171)89(150)58-101(181-127)108(157)78(139)26-16-10-8-12-19-42-126-60-64(2)59-125(6,183-126)102(182-126)28-18-11-7-9-14-23-69(133)48-86(147)111(160)120(169)122-121(170)119(168)116(165)100(180-122)56-87(148)104(153)66(4)46-71(135)33-36-81(142)124(172)130-44-41-103(152)129-43-21-45-131/h13,15,17,20,22,24,30-31,37-38,41,44,46,64-65,67-102,104-123,131-151,153-171,173H,1,7-12,14,16,18-19,21,23,25-29,32-36,39-40,42-43,45,47-62,128H2,2-6H3,(H,129,152)(H,130,172)/b17-13+,22-20-,24-15-,31-30+,38-37-,44-41+,66-46+/t64?,65-,67+,68+,69?,70+,71+,72?,73?,74-,75+,76?,77+,78-,79+,80-,81?,82+,83+,84+,85+,86-,87-,88+,89?,90-,91+,92?,93+,94?,95+,96-,97?,98-,99+,100+,101-,102?,104?,105?,106-,107+,108?,109-,110+,111+,112+,113-,114-,115+,116-,117-,118+,119+,120-,121-,122+,123?,125?,126?,127-/m0/s1
SMILES CC1CC2(C(OC(C1)(O2)CCCCCCC[C@@H](C([C@@H]3CC(C([C@@](O3)(C[C@@H]([C@@H](C)/C=C/[C@H](CC[C@H]([C@H]([C@@H]4C[C@H]([C@@H](C(O4)C[C@H]([C@@H](C[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C[C@@H](/C=C\C=C\CC([C@@H]([C@@H](C/C=C\C(=C)CC[C@@H]([C@H](C([C@H](C)C[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)/C=C\[C@H]([C@@H](CC7CC8CC(O7)C(O8)CC[C@@H]9[C@@H](C[C@H](O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CCCCCCCC(C[C@@H]([C@H]([C@@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C[C@@H](C(/C(=C/[C@@H](CCC(C(=O)N/C=C/C(=O)NCCCO)O)O)/C)O)O)O)O)O)O)O)O)O)C
ORIGINAL ISOLATION REFERENCE
CITATION Ukena, Takanori; Satake, Masayuki; Usami, Masaya; OSHiMA, Yasukatsu; Naoki, Hideo; Fujita, Tsuyoshi; Kan, Yukiko; Yasumoto, Takeshi Structure elucidation of ostreocin D, a palytoxin analog isolated from the dinoflagellate Ostreopsis siamensis Bioscience Biotechnology and Biochemistry 2001 65 (11) 2585-2588.
DOI 10.1271/bbb.65.2585 PMID 11791741
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Genus Unknown-fungus MycoBank -
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