granaticin
CHEBI:5533
·resolve ·ANTIMICROBIAL_UNSPECIFIED
·EXACT
SEEDED
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C22H20O10 |
|---|
| Charge | 0 |
|---|
| Average mass | 444.392 Da |
|---|
| Monoisotopic mass | 444.10565 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | QBQXQYSJPWXZJL-NWVAQQJZSA-N |
|---|
SMILES
[H][C@@]12C[C@@H](O)[C@@](O)(c3c(O)c4c(c(O)c31)C(=O)C1=C(C4=O)C(C)O[C@@]3([H])CC(=O)O[C@@]13[H])[C@@H](C)O2
InChI
InChI=1S/C22H20O10/c1-5-11-15(21-8(30-5)4-10(24)32-21)19(27)13-14(17(11)25)20(28)16-12(18(13)26)7-3-9(23)22(16,29)6(2)31-7/h5-9,21,23,26,28-29H,3-4H2,1-2H3/t5?,6-,7-,8+,9-,21-,22-/m1/s1
Also called
- (3aS,8S,9R,13bS,15R)-7,8,12,15-tetrahydroxy-5,9-dimethyl-3,3a,5,8,11,13b-hexahydro-8,11-ethanofuro[3,2-b]pyrano[4',3':6,7]naphtho[2,3-d]pyran-2,6,13(9H)-trione (EXACT_SYNONYM)— chebi
- (1R,7S,11S,19S,20R,23R)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione (EXACT_SYNONYM)— chebi
- Granaticin (EXACT_SYNONYM)— chebi
- Granaticin A (EXACT_SYNONYM)— chebi
- Granatomycin C (EXACT_SYNONYM)— chebi
- Litmomycin (EXACT_SYNONYM)— chebi
- Litomycin (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:5533 |
granaticin |
antibioticmech:chebi-dc0d16eb8e |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.