input word = C00035404

Metabolite InformationStructural formula
Name Tamarixinin A
Formula C75H52O48
Mw 1720.16280353
CAS RN 140187-46-8
C_ID C00035404 ,
InChIKey MHDPFGPUYOKRAH-UHFFFAOYNA-N
InChICode InChI=1S/C75H52O48/c76-13-38(62(119-66(103)16-1-25(77)44(88)26(78)2-16)61-35(87)14-112-69(106)19-7-30(82)47(91)53(97)40(19)42-21(71(108)118-61)9-32(84)49(93)55(42)99)116-73(110)23-11-34(86)51(95)57(101)59(23)115-37-12-24-60(58(102)52(37)96)114-36-6-18(5-29(81)46(36)90)68(105)123-75-65(122-74(24)111)64(121-67(104)17-3-27(79)45(89)28(80)4-17)63-39(117-75)15-113-70(107)20-8-31(83)48(92)54(98)41(20)43-22(72(109)120-63)10-33(85)50(94)56(43)100/h1-13,35,38-39,61-65,75,77-102H,14-15H2/t35-,38+,39-,61-,62-,63-,64-,65-,75-/m0/s1
SMILES [C@H]12[C@@H](O[C@@H]3[C@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c(c(c(c1)Oc1c(cc(c(c1O)O)O)C(=O)O[C@H](C=O)[C@@H]([C@@H]1[C@H](COC(=O)c4c(c(c(c(c4)O)O)O)c4c(c(c(cc4C(=O)O1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)Oc1cc(C(=O)O3)cc(c1O)O)COC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix pakistanica Ref.
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