input word = C00035348

Metabolite InformationStructural formula
Name Nobotanin G
Formula C68H50O44
Mw 1570.16749498
CAS RN 113900-92-8
C_ID C00035348 ,
InChIKey WIIXQXDQONCNNR-UHFFFAOYNA-N
InChICode InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-12-33-55(52(92)53(93)67(105-33)111-60(95)15-3-24(71)40(80)25(72)4-15)107-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-19(9-30(77)44(84)49(37)89)64(99)110-58-57(109-65(20)100)56-34(106-68(58)112-61(96)16-5-26(73)41(81)27(74)6-16)13-103-62(97)17-7-28(75)42(82)47(87)35(17)36-18(63(98)108-56)8-29(76)43(83)48(36)88/h1-11,33-34,52-53,55-58,67-93H,12-13H2/t33-,34-,52+,53-,55-,56+,57+,58-,67-,68-/m0/s1
SMILES O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(OC(=O)c3cc(O)c(O)c(O)c3)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C1OC2=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeBredia tuberuculata Ref.
PlantaeMelastomataceaeHeterocentron roseum Ref.
PlantaeMelastomataceaeMonochaetum malabathuricum Ref.
PlantaeMelastomataceaeMonochaetum normale Ref.
PlantaeMelastomataceaeTibouchina multiflora Ref.
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