input word = C00041303

Metabolite InformationStructural formula
Name Abacopterin D
(+)-Abacopterin D
Formula C30H38O15
Mw 638.22107055
CAS RN 877854-78-9
C_ID C00041303 ,
InChIKey BNUJOMJNLGIKGM-VHVRKYTCNA-N
InChICode InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16-,17+,18+,20+,21+,22-,23-,24+,28+,29-,30-/m0/s1
SMILES c12c(c(c3c(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@H](C[C@H](O3)c1ccc(cc1)OC)O)C)O[C@H]1[C@H](OC2)[C@H]([C@@H]([C@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeAbacopteris penangiana Ref.
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