input word = C00041915

Metabolite InformationStructural formula
Name Terfucoheptaphlorethol-A hexacosaacetate
Formula C118H98O59
Mw 2458.46681584
CAS RN 227085-73-6
C_ID C00041915 ,
InChIKey QYENPWROXLIMGE-UHFFFAOYSA-N
InChICode InChI=1S/C118H98O59/c1-47(119)145-73-27-74(146-48(2)120)29-75(28-73)171-109-97(36-79(150-52(6)124)37-98(109)176-115-103(167-69(23)141)46-92(173-111-93(161-63(17)135)34-78(149-51(5)123)35-94(111)162-64(18)136)108(118(115)170-72(26)144)106-88(157-59(13)131)32-77(148-50(4)122)33-89(106)158-60(14)132)174-112-95(163-65(19)137)40-81(41-96(112)164-66(20)138)172-110-99(175-113-101(165-67(21)139)44-90(159-61(15)133)104(116(113)168-70(24)142)82-42-84(153-55(9)127)85(154-56(10)128)43-83(82)152-54(8)126)38-80(151-53(7)125)39-100(110)177-114-102(166-68(22)140)45-91(160-62(16)134)107(117(114)169-71(25)143)105-86(155-57(11)129)30-76(147-49(3)121)31-87(105)156-58(12)130/h27-46H,1-26H3
SMILES c1c(cc(c(c1OC(=O)C)Oc1cc(cc(c1Oc1cc(cc(c1)OC(=O)C)OC(=O)C)Oc1c(c(c(cc1OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1Oc1c(c(c(cc1OC(=O)C)OC(=O)C)c1c(cc(c(c1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(c(c1OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCystophora retroflexa Ref.
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