input word = C00055532

Metabolite InformationStructural formula
Name Camelliin A
Formula C68H48O44
Mw 1568.15184491
CAS RN 132731-66-9
C_ID C00055532
InChIKey RIBQRCLILKXOGT-UHFFFAOYSA-N
InChICode InChI=1S/C68H48O43/c69-11-36(59(110-61(95)15-1-26(73)43(82)27(74)2-15)57-33(80)13-103-62(96)17-4-25(72)24(71)3-16(17)38-18(65(99)108-57)5-28(75)44(83)50(38)89)107-68(102)23-9-32(79)48(87)55(94)56(23)105-35-10-22-42(54(93)49(35)88)41-20(7-30(77)47(86)53(41)92)66(100)109-58(34(81)14-104-63(22)97)60-37(12-70)106-64(98)19-6-29(76)45(84)51(90)39(19)40-21(67(101)111-60)8-31(78)46(85)52(40)91/h1-12,33-34,36-37,57-60,71-94H,13-14H2
SMILES O=CC(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC(C1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC1C=O)C(O)COC2=O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2cc(O)c(O)cc2C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sasanqua Ref.
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