InChI=1S/C41H58N7O21P3S/c1- 21(10- 11- 24- 30(50) 28- 25(16- 64- 39(28) 54) 23(3) 32(24) 63- 6) 8- 7- 9- 22(2) 40(55) 73- 15- 14- 43- 27(49) 12- 13- 44- 37(53) 34(52) 41(4,5) 18- 66- 72(61,62) 69- 71(59,60) 65- 17- 26- 33(68- 70(56,57) 58) 31(51) 38(67- 26) 48- 20- 47- 29- 35(42) 45- 19- 46- 36(29) 48/h9- 10,19- 20,26,31,33- 34,38,50- 52H,7- 8,11- 18H2,1- 6H3,(H,43,49) (H,44,53) (H,59,60) (H,61,62) (H2,42,45,46) (H2,56,57,58) /p- 4/b21- 10+,22- 9+/t26- ,31- ,33- ,34+,38- /m1/s1 |
LLDOTYOQNHDNEU-IWNRUFMLSA-J |
[C@@H] 1(N2C3=C(C(=NC=N3) N) N=C2) O[C@H] (COP(OP(OCC(C) ([C@H] (C(NCCC(NCCSC(\C(=C\CC\C(=C\CC4=C(C(=C5C(=C4O) C(OC5) =O) C) OC) \C) \C) =O) =O) =O) O) C) (=O) [O- ] ) (=O) [O- ] ) [C@H] ([C@H] 1O) OP([O- ] ) ([O- ] ) =O |
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Outgoing
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4- [2,6- dimethyl- (2E,6E)- octadienoyl- CoA]- 5- O- methyl- 3- hydroxy- 6- methyl- phthalide(4−)
(CHEBI:167865)
is a
2,3-trans-enoyl CoA(4−)
(CHEBI:58856)
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(2E,6E)- 8- (4- hydroxy- 6- methoxy- 7- methyl- 3- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)- 2,6- dimethylocta- 2,6- dienoyl- CoA
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UniProt
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4- [(2E,6E)- 2,6- dimethyl- octadienoyl- CoA]- 5- O- methyl- 3- hydroxy- 6- methyl- phthalide(4−)
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SUBMITTER
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MFDHMP-5C-CoA(4−)
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SUBMITTER
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31209052
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PubMed citation
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SUBMITTER
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