input word = C00031619

Metabolite InformationStructural formula
Name Balanophotannin B
(+)-Balanophotannin B
Formula C29H22O16
Mw 626.09078466
CAS RN 854050-59-2
C_ID C00031619 ,
InChIKey JYYDBEUJTVLEFP-VOELMGBVNA-N
InChICode InChI=1S/C29H22O16/c30-12-3-1-9(5-13(12)31)2-4-17(34)43-29-23(38)22(37)24-16(42-29)8-41-27(39)10-6-14(32)20(35)25-18(10)19-11(28(40)45-24)7-15(33)21(36)26(19)44-25/h1-7,16,22-24,29-33,35-38H,8H2/b4-2+/t16-,22+,23-,24+,29+/m1/s1
SMILES c1(c(c2c3c(c1)C(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)/C=C/c1cc(c(cc1)O)O)O)O)OC(=O)c1c3c(o2)c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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