input word = C00035256

Metabolite InformationStructural formula
Name Camelliin B
Formula C75H52O48
Mw 1720.16280353
CAS RN 126347-60-2
C_ID C00035256 ,
InChIKey WASNQMYMYFXZHF-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)14-112-70(107)21-11-36(51(95)55(99)42(21)41-20(71(108)118-61)8-32(84)48(92)54(41)98)114-60-24(10-34(86)50(94)58(60)102)74(111)123-75-65(122-68(105)18-5-29(81)46(90)30(82)6-18)64(121-67(104)17-3-27(79)45(89)28(80)4-17)63-39(117-75)15-113-69(106)19-7-31(83)47(91)53(97)40(19)43-22(72(109)120-63)12-37(52(96)56(43)100)115-59-23(73(110)116-38)9-33(85)49(93)57(59)101/h1-13,35,38-39,61-65,75,77-102H,14-15H2/t35-,38+,39+,61-,62-,63-,64+,65+,75-/m1/s1
SMILES [C@H]1([C@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@@H]2O[C@@H]3[C@H]1OC(=O)c1c(c4c(C(=O)OC3)cc(c(c4O)O)O)c(c(c(c1)Oc1c(c(c(cc1C(=O)O[C@H]([C@H]([C@H]1[C@@H](COC(=O)c3cc(Oc4c(C(=O)O2)cc(c(c4O)O)O)c(c(c3c2c(C(=O)O1)cc(c(c2O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)C=O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix pakistanca Ref.
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sasanqua Ref.
zoom in